(3S)-1-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-(4-mesylphenyl)-1-p-phenetyl-pyrrolidine-3-carboxamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H22N2O5S/c1-3-27-17-8-6-16(7-9-17)22-13-14(12-19(22)23)20(24)21-15-4-10-18(11-5-15)28(2,25)26/h4-11,14H,3,12-13H2,1-2H3,(H,21,24)/t14-/m0/s1