N-[3-(2,4-dimethylphenyl)propyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[3-(2,4-dimethylphenyl)propyl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-(2,4-dimethylphenyl)propyl]pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-(2,4-dimethylphenyl)propyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-(2,4-dimethylphenyl)propyl]pyrrolidine-2-carboxamide Traditional Name: 1-besyl-N-[3-(2,4-dimethylphenyl)propyl]pyrrolidine-2-carboxamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2O3S/c1-17-12-13-19(18(2)16-17)8-6-14-23-22(25)21-11-7-15-24(21)28(26,27)20-9-4-3-5-10-20/h3-5,9-10,12-13,16,21H,6-8,11,14-15H2,1-2H3,(H,23,25)