2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-2-(1-phenethylpiperidin-4-yl)ethanoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-2-(1-phenethylpiperidin-4-yl)ethanoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-2-(1-phenethyl-4-piperidyl)acetic acid CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]-2-(1-phenethyl-4-piperidinyl)acetic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]-2-(1-phenethylpiperidin-4-yl)acetic acid Traditional Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-2-(1-phenethyl-4-piperidyl)acetic acid Formula: C29H34N2O5S MolecularWeight: 522.65566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(C1CCN(CC1)CCC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C(C1CCN(CC1)CCC2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H34N2O5S/c1-30(37(34,35)27-14-10-24(11-15-27)23-8-12-26(36-2)13-9-23)28(29(32)33)25-17-20-31(21-18-25)19-16-22-6-4-3-5-7-22/h3-15,25,28H,16-21H2,1-2H3,(H,32,33)