N-[1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]carbonylpiperidin-4-yl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]carbonylpiperidin-4-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[1-(1-benzyl-2,5-dimethyl-pyrrole-3-carbonyl)-4-piperidyl]-4-fluoro-benzenesulfonamide CAS Name: N-[1-[[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-oxomethyl]-4-piperidinyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[1-(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide Traditional Name: N-[1-(1-benzyl-2,5-dimethyl-pyrrole-3-carbonyl)-4-piperidyl]-4-fluoro-benzenesulfonamide Formula: C25H28FN3O3S MolecularWeight: 469.571523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)N3CCC(CC3)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)N3CCC(CC3)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H28FN3O3S/c1-18-16-24(19(2)29(18)17-20-6-4-3-5-7-20)25(30)28-14-12-22(13-15-28)27-33(31,32)23-10-8-21(26)9-11-23/h3-11,16,22,27H,12-15,17H2,1-2H3