N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide Openeye Name: 1-(3-isopropylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-1-(3-propan-2-ylphenyl)-3-pyrrolidinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide Traditional Name: 5-keto-1-m-cumenyl-N-(6-mesyl-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H23N3O4S2/c1-13(2)14-5-4-6-16(9-14)25-12-15(10-20(25)26)21(27)24-22-23-18-8-7-17(31(3,28)29)11-19(18)30-22/h4-9,11,13,15H,10,12H2,1-3H3,(H,23,24,27)