2-[[5-iodanyl-2-[(4-propylphenyl)sulfonylamino]phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[5-iodanyl-2-[(4-propylphenyl)sulfonylamino]phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[5-iodo-2-[(4-propylphenyl)sulfonylamino]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[5-iodo-2-[(4-propylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[5-iodo-2-[(4-propylphenyl)sulfonylamino]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[5-iodo-2-[(4-propylphenyl)sulfonylamino]benzoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C31H29IN2O5S MolecularWeight: 668.54183

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)I)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)I)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H29IN2O5S/c1-2-6-21-11-16-26(17-12-21)40(38,39)34-28-18-15-25(32)20-27(28)30(35)33-29(31(36)37)19-22-9-13-24(14-10-22)23-7-4-3-5-8-23/h3-5,7-18,20,29,34H,2,6,19H2,1H3,(H,33,35)(H,36,37)