2-[[4-[(4-methylphenyl)sulfonyl-(3-phenylpropyl)amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(4-methylphenyl)sulfonyl-(3-phenylpropyl)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-phenylpropyl(p-tolylsulfonyl)amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(4-methylphenyl)sulfonyl-(3-phenylpropyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(4-methylphenyl)sulfonyl-(3-phenylpropyl)amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[3-phenylpropyl(tosyl)amino]benzoyl]amino]glutaric acid Formula: C28H30N2O7S MolecularWeight: 538.612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C28H30N2O7S/c1-20-9-15-24(16-10-20)38(36,37)30(19-5-8-21-6-3-2-4-7-21)23-13-11-22(12-14-23)27(33)29-25(28(34)35)17-18-26(31)32/h2-4,6-7,9-16,25H,5,8,17-19H2,1H3,(H,29,33)(H,31,32)(H,34,35)