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

Systemtic Name: N-[2-(4-methylpiperidin-1-yl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[2-(4-methyl-1-piperidyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[2-(4-methyl-1-piperidinyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[2-(4-methylpiperidin-1-yl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-N-[2-(4-methylpiperidino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCNS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC1CCN(CC1)CCNS(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C17H25N3O3S2/c1-13-4-8-20(9-5-13)10-7-18-25(22,23)14-2-3-16-15(12-14)19-17(21)6-11-24-16/h2-3,12-13,18H,4-11H2,1H3,(H,19,21)