N-[2-(4-methylphenyl)ethynyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)ethynyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(p-tolyl)ethynyl]pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(4-methylphenyl)ethynyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(4-methylphenyl)ethynyl]pyrrolidine-2-carboxamide Traditional Name: 1-besyl-N-[2-(p-tolyl)ethynyl]pyrrolidine-2-carboxamide Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C#CNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-16-9-11-17(12-10-16)13-14-21-20(23)19-8-5-15-22(19)26(24,25)18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,15H2,1H3,(H,21,23)