phenyl 4-[5,6-bis[(4-methylphenyl)sulfonylamino]-1H-benzimidazol-2-yl]benzoate

Systemtic Name: phenyl 4-[5,6-bis[(4-methylphenyl)sulfonylamino]-1H-benzimidazol-2-yl]benzoate Openeye Name: phenyl 4-[5,6-bis(p-tolylsulfonylamino)-1H-benzimidazol-2-yl]benzoate CAS Name: 4-[5,6-bis[(4-methylphenyl)sulfonylamino]-1H-benzimidazol-2-yl]benzoic acid phenyl ester IUPAC Name: phenyl 4-[5,6-bis[(4-methylphenyl)sulfonylamino]-1H-benzimidazol-2-yl]benzoate Traditional Name: 4-[5,6-bis(tosylamino)-1H-benzimidazol-2-yl]benzoic acid phenyl ester Formula: C34H28N4O6S2 MolecularWeight: 652.73932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C3C(=C2)NC(=N3)C4=CC=C(C=C4)C(=O)OC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C3C(=C2)NC(=N3)C4=CC=C(C=C4)C(=O)OC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C

InChI

InChI=1S/C34H28N4O6S2/c1-22-8-16-27(17-9-22)45(40,41)37-31-20-29-30(21-32(31)38-46(42,43)28-18-10-23(2)11-19-28)36-33(35-29)24-12-14-25(15-13-24)34(39)44-26-6-4-3-5-7-26/h3-21,37-38H,1-2H3,(H,35,36)