N-methyl-2-[2-methyl-7-(4-methylpiperidin-1-yl)sulfonyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-methyl-2-[2-methyl-7-(4-methylpiperidin-1-yl)sulfonyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-methyl-2-[2-methyl-7-[(4-methyl-1-piperidyl)sulfonyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-methyl-2-[2-methyl-7-[(4-methyl-1-piperidinyl)sulfonyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-methyl-2-[2-methyl-7-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: N-benzyl-2-[4-keto-2-methyl-7-(4-methylpiperidino)sulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-methyl-acetamide Formula: C26H33N3O4S2 MolecularWeight: 515.68792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3CC(=O)N(C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3CC(=O)N(C)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H33N3O4S2/c1-19-11-13-28(14-12-19)35(32,33)22-9-10-24-23(16-22)29(25(30)15-20(2)34-24)18-26(31)27(3)17-21-7-5-4-6-8-21/h4-10,16,19-20H,11-15,17-18H2,1-3H3