1-(2,3-dimethylphenyl)-5-oxidanylidene-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(2,3-dimethylphenyl)-5-oxidanylidene-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide Openeye Name: 1-(2,3-dimethylphenyl)-5-oxo-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]pyrrolidine-3-carboxamide CAS Name: 1-(2,3-dimethylphenyl)-5-oxo-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(2,3-dimethylphenyl)-5-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide Traditional Name: 1-(2,3-dimethylphenyl)-5-keto-N-(4-piperidinosulfonylbenzyl)pyrrolidine-3-carboxamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C25H31N3O4S/c1-18-7-6-8-23(19(18)2)28-17-21(15-24(28)29)25(30)26-16-20-9-11-22(12-10-20)33(31,32)27-13-4-3-5-14-27/h6-12,21H,3-5,13-17H2,1-2H3,(H,26,30)