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

Systemtic Name: 2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[4-oxo-7-(1-pyrrolidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-(4-keto-7-pyrrolidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-mesityl-acetamide Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C24H29N3O4S2/c1-16-12-17(2)24(18(3)13-16)25-22(28)15-27-20-14-19(33(30,31)26-9-4-5-10-26)6-7-21(20)32-11-8-23(27)29/h6-7,12-14H,4-5,8-11,15H2,1-3H3,(H,25,28)