2-[(4-phenylphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]butanedioic acid

Systemtic Name: 2-[(4-phenylphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]butanedioic acid Openeye Name: 2-[(4-phenylphenyl)sulfonyl-(4-pyridylmethyl)amino]butanedioic acid CAS Name: 2-[(4-phenylphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]butanedioic acid IUPAC Name: 2-[(4-phenylphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]butanedioic acid Traditional Name: 2-[(4-phenylphenyl)sulfonyl-(4-pyridylmethyl)amino]succinic acid Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=NC=C3)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=NC=C3)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C22H20N2O6S/c25-21(26)14-20(22(27)28)24(15-16-10-12-23-13-11-16)31(29,30)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-13,20H,14-15H2,(H,25,26)(H,27,28)