N-(2-ethyl-6-methyl-phenyl)-2-(2-methyl-4-oxidanylidene-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-(2-methyl-4-oxidanylidene-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[2-methyl-4-oxo-7-(1-piperidylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[2-methyl-4-oxo-7-(1-piperidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(2-methyl-4-oxo-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-(4-keto-2-methyl-7-piperidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C26H33N3O4S2 MolecularWeight: 515.68792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2C(=O)CC(SC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2C(=O)CC(SC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4)C)C

InChI

InChI=1S/C26H33N3O4S2/c1-4-20-10-8-9-18(2)26(20)27-24(30)17-29-22-16-21(35(32,33)28-13-6-5-7-14-28)11-12-23(22)34-19(3)15-25(29)31/h8-12,16,19H,4-7,13-15,17H2,1-3H3,(H,27,30)