N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide

Systemtic Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide Openeye Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-isobutyl-benzenesulfonamide CAS Name: N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-4-(2-methylpropyl)benzenesulfonamide IUPAC Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide Traditional Name: N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-4-isobutyl-benzenesulfonamide Formula: C22H25FN2O2S MolecularWeight: 400.509503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CN2CC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CN2CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H25FN2O2S/c1-17(2)13-18-8-10-22(11-9-18)28(26,27)24-15-21-7-4-12-25(21)16-19-5-3-6-20(23)14-19/h3-12,14,17,24H,13,15-16H2,1-2H3