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

Systemtic Name: N-[2-[bis(2-methylpropyl)amino]ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[2-(diisobutylamino)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[2-[bis(2-methylpropyl)amino]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[2-[bis(2-methylpropyl)amino]ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[2-(diisobutylamino)ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H31N3O3S2 MolecularWeight: 413.59774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCNS(=O)(=O)C1=CC2=C(C=C1)SCCC(=O)N2)CC(C)C

Isomeric SMILES

CC(C)CN(CCNS(=O)(=O)C1=CC2=C(C=C1)SCCC(=O)N2)CC(C)C

InChI

InChI=1S/C19H31N3O3S2/c1-14(2)12-22(13-15(3)4)9-8-20-27(24,25)16-5-6-18-17(11-16)21-19(23)7-10-26-18/h5-6,11,14-15,20H,7-10,12-13H2,1-4H3,(H,21,23)