N-[2-(azepan-1-yl)ethyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCN3CCCCCC3

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCN3CCCCCC3

InChI

InChI=1S/C18H27N3O3S2/c1-14-12-18(22)20-16-13-15(6-7-17(16)25-14)26(23,24)19-8-11-21-9-4-2-3-5-10-21/h6-7,13-14,19H,2-5,8-12H2,1H3,(H,20,22)