3-[4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[4-[4-(phenylmethyl)piperidin-1-yl]phenyl]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[4-(4-benzyl-1-piperidyl)phenyl]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[4-[4-(phenylmethyl)-1-piperidinyl]phenyl]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[4-(4-benzylpiperidin-1-yl)phenyl]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[4-(4-benzylpiperidino)phenyl]propionic acid Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=CC=C(C=C3)CC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=CC=C(C=C3)CC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4S/c30-27(31)26(28-34(32,33)25-9-5-2-6-10-25)20-22-11-13-24(14-12-22)29-17-15-23(16-18-29)19-21-7-3-1-4-8-21/h1-14,23,26,28H,15-20H2,(H,30,31)