3-[3-[2-[5-chloranyl-2-[2-[(2-chlorophenyl)methylsulfonylamino]ethyl]-1-(diphenylmethyl)indol-3-yl]ethylsulfonyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[2-[5-chloranyl-2-[2-[(2-chlorophenyl)methylsulfonylamino]ethyl]-1-(diphenylmethyl)indol-3-yl]ethylsulfonyl]phenyl]propanoic acid Openeye Name: 3-[3-[2-[1-benzhydryl-5-chloro-2-[2-[(2-chlorophenyl)methylsulfonylamino]ethyl]indol-3-yl]ethylsulfonyl]phenyl]propanoic acid CAS Name: 3-[3-[2-[5-chloro-2-[2-[(2-chlorophenyl)methylsulfonylamino]ethyl]-1-(diphenylmethyl)-3-indolyl]ethylsulfonyl]phenyl]propanoic acid IUPAC Name: 3-[3-[2-[1-benzhydryl-5-chloro-2-[2-[(2-chlorophenyl)methylsulfonylamino]ethyl]indol-3-yl]ethylsulfonyl]phenyl]propanoic acid Traditional Name: 3-[3-[2-[1-benzhydryl-5-chloro-2-[2-[(2-chlorobenzyl)sulfonylamino]ethyl]indol-3-yl]ethylsulfonyl]phenyl]propionic acid Formula: C41H38Cl2N2O6S2 MolecularWeight: 789.78622

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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=CC=CC=C5Cl)CCS(=O)(=O)C6=CC=CC(=C6)CCC(=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=CC=CC=C5Cl)CCS(=O)(=O)C6=CC=CC(=C6)CCC(=O)O

InChI

InChI=1S/C41H38Cl2N2O6S2/c42-33-19-20-38-36(27-33)35(23-25-52(48,49)34-16-9-10-29(26-34)18-21-40(46)47)39(22-24-44-53(50,51)28-32-15-7-8-17-37(32)43)45(38)41(30-11-3-1-4-12-30)31-13-5-2-6-14-31/h1-17,19-20,26-27,41,44H,18,21-25,28H2,(H,46,47)