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

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

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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=C(C=C4C)C)C

Isomeric SMILES

CC1CC(=O)N(C2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCCC3)CC(=O)NC4=C(C=C(C=C4C)C)C

InChI

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