2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-methylsulfonyl-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-(4-keto-2,2-dimethyl-3H-1,5-benzothiazepin-5-yl)-N-mesyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)N(C(=O)CN2C(=O)CC(SC3=CC=CC=C32)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1C)C)N(C(=O)CN2C(=O)CC(SC3=CC=CC=C32)(C)C)S(=O)(=O)C

InChI

InChI=1S/C20H26N4O4S2/c1-13-19(14(2)22(5)21-13)24(30(6,27)28)18(26)12-23-15-9-7-8-10-16(15)29-20(3,4)11-17(23)25/h7-10H,11-12H2,1-6H3