1-[3-carboxy-4-(2,2-diphenylethylamino)phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3-carboxy-4-(2,2-diphenylethylamino)phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-carboxy-4-(2,2-diphenylethylamino)phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[3-carboxy-4-(2,2-diphenylethylamino)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-carboxy-4-(2,2-diphenylethylamino)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[3-carboxy-4-(2,2-diphenylethylamino)phenyl]sulfonylisonipecotic acid Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H28N2O6S/c30-26(31)21-13-15-29(16-14-21)36(34,35)22-11-12-25(23(17-22)27(32)33)28-18-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,21,24,28H,13-16,18H2,(H,30,31)(H,32,33)