N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(4-methyl-3-piperidinosulfonyl-phenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25N3O4S2/c1-15-5-7-17(14-20(15)31(28,29)25-10-3-2-4-11-25)23-22(27)16-6-8-19-18(13-16)24-21(26)9-12-30-19/h5-8,13-14H,2-4,9-12H2,1H3,(H,23,27)(H,24,26)