N-butyl-4-(3-fluorophenyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide

Systemtic Name: N-butyl-4-(3-fluorophenyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-butyl-4-(3-fluorophenyl)pyrrolidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-butyl-4-(3-fluorophenyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-butyl-4-(3-fluorophenyl)pyrrolidine-3-carboxamide Traditional Name: 1-besyl-N-butyl-4-(3-fluorophenyl)pyrrolidine-3-carboxamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CN(CC1C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1CN(CC1C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25FN2O3S/c1-2-3-12-23-21(25)20-15-24(28(26,27)18-10-5-4-6-11-18)14-19(20)16-8-7-9-17(22)13-16/h4-11,13,19-20H,2-3,12,14-15H2,1H3,(H,23,25)