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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

C1CCCN(CC1)CCCNS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C18H27N3O3S2/c22-18-8-13-25-17-7-6-15(14-16(17)20-18)26(23,24)19-9-5-12-21-10-3-1-2-4-11-21/h6-7,14,19H,1-5,8-13H2,(H,20,22)