2-phenyl-4-[phenylsulfonyl-[[1-(triphenylmethyl)imidazol-4-yl]methyl]amino]benzoic acid

Systemtic Name: 2-phenyl-4-[phenylsulfonyl-[[1-(triphenylmethyl)imidazol-4-yl]methyl]amino]benzoic acid Openeye Name: 4-[benzenesulfonyl-[(1-tritylimidazol-4-yl)methyl]amino]-2-phenyl-benzoic acid CAS Name: 4-[benzenesulfonyl-[[1-(triphenylmethyl)-4-imidazolyl]methyl]amino]-2-phenylbenzoic acid IUPAC Name: 4-[benzenesulfonyl-[(1-tritylimidazol-4-yl)methyl]amino]-2-phenylbenzoic acid Traditional Name: 4-[besyl-[(1-tritylimidazol-4-yl)methyl]amino]-2-phenyl-benzoic acid Formula: C42H33N3O4S MolecularWeight: 675.79412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)N(CC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)S(=O)(=O)C7=CC=CC=C7)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)N(CC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)S(=O)(=O)C7=CC=CC=C7)C(=O)O

InChI

InChI=1S/C42H33N3O4S/c46-41(47)39-27-26-37(28-40(39)32-16-6-1-7-17-32)45(50(48,49)38-24-14-5-15-25-38)30-36-29-44(31-43-36)42(33-18-8-2-9-19-33,34-20-10-3-11-21-34)35-22-12-4-13-23-35/h1-29,31H,30H2,(H,46,47)