N-[(4-ethoxyphenyl)-phenyl-methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-ethoxyphenyl)-phenyl-methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-ethoxyphenyl)-phenyl-methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-ethoxyphenyl)-phenylmethyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-ethoxyphenyl)-phenylmethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(4-fluorophenyl)sulfonyl-N-[phenyl(p-phenetyl)methyl]isonipecotamide Formula: C27H29FN2O4S MolecularWeight: 496.593563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H29FN2O4S/c1-2-34-24-12-8-21(9-13-24)26(20-6-4-3-5-7-20)29-27(31)22-16-18-30(19-17-22)35(32,33)25-14-10-23(28)11-15-25/h3-15,22,26H,2,16-19H2,1H3,(H,29,31)