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

Systemtic Name: (3S)-N-(4-methylsulfonylphenyl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(4-methylsulfonylphenyl)-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(4-methylsulfonylphenyl)-5-oxo-1-phenethyl-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(4-methylsulfonylphenyl)-5-oxo-1-phenethylpyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-(4-mesylphenyl)-1-phenethyl-pyrrolidine-3-carboxamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c1-27(25,26)18-9-7-17(8-10-18)21-20(24)16-13-19(23)22(14-16)12-11-15-5-3-2-4-6-15/h2-10,16H,11-14H2,1H3,(H,21,24)/t16-/m0/s1