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

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-(2-methyl-4-oxidanylidene-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[2-methyl-4-oxo-7-(1-piperidylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[2-methyl-4-oxo-7-(1-piperidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-(2-methyl-4-oxo-7-piperidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: 2-(4-keto-2-methyl-7-piperidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C25H31N3O5S2 MolecularWeight: 517.66074

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCCC3)CC(=O)NC4=C(C=CC(=C4)C)OC

Isomeric SMILES

CC1CC(=O)N(C2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCCC3)CC(=O)NC4=C(C=CC(=C4)C)OC

InChI

InChI=1S/C25H31N3O5S2/c1-17-7-9-22(33-3)20(13-17)26-24(29)16-28-21-15-19(35(31,32)27-11-5-4-6-12-27)8-10-23(21)34-18(2)14-25(28)30/h7-10,13,15,18H,4-6,11-12,14,16H2,1-3H3,(H,26,29)