N-(2-methyl-5-methylsulfonyl-phenyl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide

Systemtic Name: N-(2-methyl-5-methylsulfonyl-phenyl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide Openeye Name: N-(2-methyl-5-methylsulfonyl-phenyl)-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide CAS Name: N-(2-methyl-5-methylsulfonylphenyl)-5-oxo-1-phenethyl-3-pyrrolidinecarboxamide IUPAC Name: N-(2-methyl-5-methylsulfonylphenyl)-5-oxo-1-phenethylpyrrolidine-3-carboxamide Traditional Name: 5-keto-N-(5-mesyl-2-methyl-phenyl)-1-phenethyl-pyrrolidine-3-carboxamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c1-15-8-9-18(28(2,26)27)13-19(15)22-21(25)17-12-20(24)23(14-17)11-10-16-6-4-3-5-7-16/h3-9,13,17H,10-12,14H2,1-2H3,(H,22,25)