N-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-4-(o-tolyl)pyrrolidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)pyrrolidine-3-carboxamide Traditional Name: 1-besyl-N-(4-fluorobenzyl)-4-(o-tolyl)pyrrolidine-3-carboxamide Formula: C25H25FN2O3S MolecularWeight: 452.541003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CN(CC2C(=O)NCC3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2CN(CC2C(=O)NCC3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25FN2O3S/c1-18-7-5-6-10-22(18)23-16-28(32(30,31)21-8-3-2-4-9-21)17-24(23)25(29)27-15-19-11-13-20(26)14-12-19/h2-14,23-24H,15-17H2,1H3,(H,27,29)