4-[2-[5-chloranyl-1-(diphenylmethyl)-2-[2-[(2-methylphenyl)methylsulfonylamino]ethyl]indol-3-yl]ethoxy]benzoic acid

Systemtic Name: 4-[2-[5-chloranyl-1-(diphenylmethyl)-2-[2-[(2-methylphenyl)methylsulfonylamino]ethyl]indol-3-yl]ethoxy]benzoic acid Openeye Name: 4-[2-[1-benzhydryl-5-chloro-2-[2-(o-tolylmethylsulfonylamino)ethyl]indol-3-yl]ethoxy]benzoic acid CAS Name: 4-[2-[5-chloro-1-(diphenylmethyl)-2-[2-[(2-methylphenyl)methylsulfonylamino]ethyl]-3-indolyl]ethoxy]benzoic acid IUPAC Name: 4-[2-[1-benzhydryl-5-chloro-2-[2-[(2-methylphenyl)methylsulfonylamino]ethyl]indol-3-yl]ethoxy]benzoic acid Traditional Name: 4-[2-[1-benzhydryl-5-chloro-2-[2-[(2-methylbenzyl)sulfonylamino]ethyl]indol-3-yl]ethoxy]benzoic acid Formula: C40H37ClN2O5S MolecularWeight: 693.25018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)NCCC2=C(C3=C(N2C(C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C3)Cl)CCOC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)NCCC2=C(C3=C(N2C(C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C3)Cl)CCOC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C40H37ClN2O5S/c1-28-10-8-9-15-32(28)27-49(46,47)42-24-22-38-35(23-25-48-34-19-16-31(17-20-34)40(44)45)36-26-33(41)18-21-37(36)43(38)39(29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-21,26,39,42H,22-25,27H2,1H3,(H,44,45)