4-[3-[5-chloranyl-1-(diphenylmethyl)-2-[2-(pyridin-3-ylmethylsulfonylamino)ethyl]indol-3-yl]propyl]benzoic acid

Systemtic Name: 4-[3-[5-chloranyl-1-(diphenylmethyl)-2-[2-(pyridin-3-ylmethylsulfonylamino)ethyl]indol-3-yl]propyl]benzoic acid Openeye Name: 4-[3-[1-benzhydryl-5-chloro-2-[2-(3-pyridylmethylsulfonylamino)ethyl]indol-3-yl]propyl]benzoic acid CAS Name: 4-[3-[5-chloro-1-(diphenylmethyl)-2-[2-(3-pyridinylmethylsulfonylamino)ethyl]-3-indolyl]propyl]benzoic acid IUPAC Name: 4-[3-[1-benzhydryl-5-chloro-2-[2-(pyridin-3-ylmethylsulfonylamino)ethyl]indol-3-yl]propyl]benzoic acid Traditional Name: 4-[3-[1-benzhydryl-5-chloro-2-[2-(3-pyridylmethylsulfonylamino)ethyl]indol-3-yl]propyl]benzoic acid Formula: C39H36ClN3O4S MolecularWeight: 678.23884

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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=CN=CC=C5)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=CN=CC=C5)CCCC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C39H36ClN3O4S/c40-33-20-21-36-35(25-33)34(15-7-9-28-16-18-32(19-17-28)39(44)45)37(22-24-42-48(46,47)27-29-10-8-23-41-26-29)43(36)38(30-11-3-1-4-12-30)31-13-5-2-6-14-31/h1-6,8,10-14,16-21,23,25-26,38,42H,7,9,15,22,24,27H2,(H,44,45)