N-[4-(cyanomethyl)phenyl]-2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)-N-propan-2-ylsulfonyl-ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)-N-propan-2-ylsulfonyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-isopropylsulfonyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-propan-2-ylsulfonylacetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-propan-2-ylsulfonylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-N-isopropylsulfonyl-2-(4-keto-2,2-dimethyl-3H-1,5-benzothiazepin-5-yl)acetamide Formula: C24H27N3O4S2 MolecularWeight: 485.61888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N(C1=CC=C(C=C1)CC#N)C(=O)CN2C(=O)CC(SC3=CC=CC=C32)(C)C

Isomeric SMILES

CC(C)S(=O)(=O)N(C1=CC=C(C=C1)CC#N)C(=O)CN2C(=O)CC(SC3=CC=CC=C32)(C)C

InChI

InChI=1S/C24H27N3O4S2/c1-17(2)33(30,31)27(19-11-9-18(10-12-19)13-14-25)23(29)16-26-20-7-5-6-8-21(20)32-24(3,4)15-22(26)28/h5-12,17H,13,15-16H2,1-4H3