N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-phenethyl-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-phenethyl-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidyl]-N-phenethyl-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-N-phenethyl-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-phenethyl-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[1-(3-cyanobenzyl)-4-piperidyl]-N-phenethyl-4-(trifluoromethyl)benzenesulfonamide Formula: C28H28F3N3O2S MolecularWeight: 527.60103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1N(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H28F3N3O2S/c29-28(30,31)25-9-11-27(12-10-25)37(35,36)34(18-13-22-5-2-1-3-6-22)26-14-16-33(17-15-26)21-24-8-4-7-23(19-24)20-32/h1-12,19,26H,13-18,21H2