2-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]sulfonylmethyl]-5-phenyl-pentanoic acid

Systemtic Name: 2-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]sulfonylmethyl]-5-phenyl-pentanoic acid Openeye Name: 2-[[1-[(4-cyanophenyl)methyl]-4-piperidyl]sulfonylmethyl]-5-phenyl-pentanoic acid CAS Name: 2-[[1-[(4-cyanophenyl)methyl]-4-piperidinyl]sulfonylmethyl]-5-phenylpentanoic acid IUPAC Name: 2-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]sulfonylmethyl]-5-phenylpentanoic acid Traditional Name: 2-[[1-(4-cyanobenzyl)-4-piperidyl]sulfonylmethyl]-5-phenyl-valeric acid Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1S(=O)(=O)CC(CCCC2=CC=CC=C2)C(=O)O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1S(=O)(=O)CC(CCCC2=CC=CC=C2)C(=O)O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H30N2O4S/c26-17-21-9-11-22(12-10-21)18-27-15-13-24(14-16-27)32(30,31)19-23(25(28)29)8-4-7-20-5-2-1-3-6-20/h1-3,5-6,9-12,23-24H,4,7-8,13-16,18-19H2,(H,28,29)