1-(1,3-benzodioxol-5-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-keto-N-[1-(4-mesylphenyl)ethyl]pyrrolidine-3-carboxamide Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O6S/c1-13(14-3-6-17(7-4-14)30(2,26)27)22-21(25)15-9-20(24)23(11-15)16-5-8-18-19(10-16)29-12-28-18/h3-8,10,13,15H,9,11-12H2,1-2H3,(H,22,25)