N-(1-methylsulfonylpiperidin-4-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(1-methylsulfonylpiperidin-4-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(1-methylsulfonyl-4-piperidyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(1-methylsulfonyl-4-piperidinyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(1-methylsulfonylpiperidin-4-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(1-mesyl-4-piperidyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C16H21N3O4S2/c1-25(22,23)19-7-4-12(5-8-19)17-16(21)11-2-3-14-13(10-11)18-15(20)6-9-24-14/h2-3,10,12H,4-9H2,1H3,(H,17,21)(H,18,20)