Molecule ID: 4635684

IUPAC Name: 4-amino-2-(3-methoxypropyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide

Description: The molecule is a sulfonamide consisting of brinzolamide lacking hydrogens at positions 3 and 4 and also lacking the N(4)-ethyl group. It derives from a brinzolamide.

SMILES: COCCCN1C=C(N)c2cc(S(N)(=O)=O)sc2S1(=O)=O

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

InChI: InChI=1S/C10H15N3O5S3/c1-18-4-2-3-13-6-8(11)7-5-9(20(12,14)15)19-10(7)21(13,16)17/h5-6H,2-4,11H2,1H3,(H2,12,14,15)

Molecular Properties:
- Polar Surface Area: 178.0 Ų
- LogP: -0.6