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

Systemtic Name: 1-(3-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(m-tolyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(3-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(3-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 5-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-1-(m-tolyl)pyrrolidine-3-carboxamide Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H19N3O4S2/c1-12-4-3-5-14(8-12)23-11-13(9-18(23)24)19(25)22-20-21-16-7-6-15(29(2,26)27)10-17(16)28-20/h3-8,10,13H,9,11H2,1-2H3,(H,21,22,25)