4-(2-chlorophenyl)-3-[2-[(2,4-dichlorophenyl)sulfonyl-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]amino]ethanoylamino]butanoic acid

Systemtic Name: 4-(2-chlorophenyl)-3-[2-[(2,4-dichlorophenyl)sulfonyl-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]amino]ethanoylamino]butanoic acid Openeye Name: 4-(2-chlorophenyl)-3-[[2-[(2,4-dichlorophenyl)sulfonyl-(2-indan-5-yloxyethyl)amino]acetyl]amino]butanoic acid CAS Name: 4-(2-chlorophenyl)-3-[[2-[(2,4-dichlorophenyl)sulfonyl-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]amino]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-(2-chlorophenyl)-3-[[2-[(2,4-dichlorophenyl)sulfonyl-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]amino]acetyl]amino]butanoic acid Traditional Name: 4-(2-chlorophenyl)-3-[[2-[(2,4-dichlorophenyl)sulfonyl-(2-indan-5-yloxyethyl)amino]acetyl]amino]butyric acid Formula: C29H29Cl3N2O6S MolecularWeight: 639.97436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)OCCN(CC(=O)NC(CC3=CC=CC=C3Cl)CC(=O)O)S(=O)(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)OCCN(CC(=O)NC(CC3=CC=CC=C3Cl)CC(=O)O)S(=O)(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C29H29Cl3N2O6S/c30-22-9-11-27(26(32)16-22)41(38,39)34(12-13-40-24-10-8-19-5-3-6-20(19)15-24)18-28(35)33-23(17-29(36)37)14-21-4-1-2-7-25(21)31/h1-2,4,7-11,15-16,23H,3,5-6,12-14,17-18H2,(H,33,35)(H,36,37)