4-[3-[2-[2-[[2,5-bis(chloranyl)phenyl]methylsulfonylamino]ethyl]-5-chloranyl-1-(diphenylmethyl)indol-3-yl]propyl]benzoic acid

Systemtic Name: 4-[3-[2-[2-[[2,5-bis(chloranyl)phenyl]methylsulfonylamino]ethyl]-5-chloranyl-1-(diphenylmethyl)indol-3-yl]propyl]benzoic acid Openeye Name: 4-[3-[1-benzhydryl-5-chloro-2-[2-[(2,5-dichlorophenyl)methylsulfonylamino]ethyl]indol-3-yl]propyl]benzoic acid CAS Name: 4-[3-[5-chloro-2-[2-[(2,5-dichlorophenyl)methylsulfonylamino]ethyl]-1-(diphenylmethyl)-3-indolyl]propyl]benzoic acid IUPAC Name: 4-[3-[1-benzhydryl-5-chloro-2-[2-[(2,5-dichlorophenyl)methylsulfonylamino]ethyl]indol-3-yl]propyl]benzoic acid Traditional Name: 4-[3-[1-benzhydryl-5-chloro-2-[2-[(2,5-dichlorobenzyl)sulfonylamino]ethyl]indol-3-yl]propyl]benzoic acid Formula: C40H35Cl3N2O4S MolecularWeight: 746.1409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=C(C=C(C=C4)Cl)C(=C3CCNS(=O)(=O)CC5=C(C=CC(=C5)Cl)Cl)CCCC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=C(C=C(C=C4)Cl)C(=C3CCNS(=O)(=O)CC5=C(C=CC(=C5)Cl)Cl)CCCC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C40H35Cl3N2O4S/c41-32-18-20-36(43)31(24-32)26-50(48,49)44-23-22-38-34(13-7-8-27-14-16-30(17-15-27)40(46)47)35-25-33(42)19-21-37(35)45(38)39(28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-6,9-12,14-21,24-25,39,44H,7-8,13,22-23,26H2,(H,46,47)