Molecule ID: 18097107

IUPAC Name: N-[4-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide

Description: The molecule is a sulfonamide in which the nitrogen is the piperidinyl nitrogen of a 2-(1,3-benzothiazol-2-yl)piperidin-1-yl group and the sulfonyl sulfur carries a 4-acetamidophenyl substituent.

SMILES: CC(O)=Nc1ccc(S(=O)(=O)N2CCCCC2c2nc3ccccc3s2)cc1

SELFIES: [C][C][Branch1][C][O][=N][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch2]

InChI: InChI=1S/C20H21N3O3S2/c1-14(24)21-15-9-11-16(12-10-15)28(25,26)23-13-5-4-7-18(23)20-22-17-6-2-3-8-19(17)27-20/h2-3,6,8-12,18H,4-5,7,13H2,1H3,(H,21,24)

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 3.1