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

Systemtic Name: N-[2-(dipropylamino)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[2-(dipropylamino)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[2-(dipropylamino)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[2-(dipropylamino)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[2-(dipropylamino)ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C17H27N3O3S2 MolecularWeight: 385.54458

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCNS(=O)(=O)C1=CC2=C(C=C1)SCCC(=O)N2

Isomeric SMILES

CCCN(CCC)CCNS(=O)(=O)C1=CC2=C(C=C1)SCCC(=O)N2

InChI

InChI=1S/C17H27N3O3S2/c1-3-9-20(10-4-2)11-8-18-25(22,23)14-5-6-16-15(13-14)19-17(21)7-12-24-16/h5-6,13,18H,3-4,7-12H2,1-2H3,(H,19,21)