(2S)-1-(4-methylphenyl)sulfonyl-N-[3-(propanoylamino)phenyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[3-(propanoylamino)phenyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[3-(propanoylamino)phenyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[3-(1-oxopropylamino)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[3-(propanoylamino)phenyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(3-propionamidophenyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N3O4S/c1-3-20(25)22-16-6-4-7-17(14-16)23-21(26)19-8-5-13-24(19)29(27,28)18-11-9-15(2)10-12-18/h4,6-7,9-12,14,19H,3,5,8,13H2,1-2H3,(H,22,25)(H,23,26)/t19-/m0/s1