4-[[4-(4-methoxyphenyl)phenyl]sulfonyl-(phenylmethyl)amino]piperidine-1,4-dicarboxylic acid

Systemtic Name: 4-[[4-(4-methoxyphenyl)phenyl]sulfonyl-(phenylmethyl)amino]piperidine-1,4-dicarboxylic acid Openeye Name: 4-[benzyl-[4-(4-methoxyphenyl)phenyl]sulfonyl-amino]piperidine-1,4-dicarboxylic acid CAS Name: 4-[[4-(4-methoxyphenyl)phenyl]sulfonyl-(phenylmethyl)amino]piperidine-1,4-dicarboxylic acid IUPAC Name: 4-[benzyl-[4-(4-methoxyphenyl)phenyl]sulfonylamino]piperidine-1,4-dicarboxylic acid Traditional Name: 4-[benzyl-[4-(4-methoxyphenyl)phenyl]sulfonyl-amino]piperidine-1,4-dicarboxylic acid Formula: C27H28N2O7S MolecularWeight: 524.58542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4(CCN(CC4)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4(CCN(CC4)C(=O)O)C(=O)O

InChI

InChI=1S/C27H28N2O7S/c1-36-23-11-7-21(8-12-23)22-9-13-24(14-10-22)37(34,35)29(19-20-5-3-2-4-6-20)27(25(30)31)15-17-28(18-16-27)26(32)33/h2-14H,15-19H2,1H3,(H,30,31)(H,32,33)