N-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]benzenesulfonamide

Systemtic Name: N-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]benzenesulfonamide Openeye Name: N-[4-[2-(azepan-1-yl)-2-oxo-ethyl]thiazol-2-yl]benzenesulfonamide CAS Name: N-[4-[2-(1-azepanyl)-2-oxoethyl]-2-thiazolyl]benzenesulfonamide IUPAC Name: N-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide Traditional Name: N-[4-[2-(azepan-1-yl)-2-keto-ethyl]thiazol-2-yl]benzenesulfonamide Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2=CSC(=N2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CC2=CSC(=N2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O3S2/c21-16(20-10-6-1-2-7-11-20)12-14-13-24-17(18-14)19-25(22,23)15-8-4-3-5-9-15/h3-5,8-9,13H,1-2,6-7,10-12H2,(H,18,19)