methyl 7-methylsulfonyl-2-[(4-pyridin-4-yloxyphenyl)amino]-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 7-methylsulfonyl-2-[(4-pyridin-4-yloxyphenyl)amino]-3H-benzimidazole-5-carboxylate Openeye Name: methyl 7-methylsulfonyl-2-[4-(4-pyridyloxy)anilino]-3H-benzimidazole-5-carboxylate CAS Name: 7-methylsulfonyl-2-(4-pyridin-4-yloxyanilino)-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 7-methylsulfonyl-2-(4-pyridin-4-yloxyanilino)-3H-benzimidazole-5-carboxylate Traditional Name: 7-mesyl-2-[4-(4-pyridyloxy)anilino]-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C(=C1)S(=O)(=O)C)N=C(N2)NC3=CC=C(C=C3)OC4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C(=C1)S(=O)(=O)C)N=C(N2)NC3=CC=C(C=C3)OC4=CC=NC=C4

InChI

InChI=1S/C21H18N4O5S/c1-29-20(26)13-11-17-19(18(12-13)31(2,27)28)25-21(24-17)23-14-3-5-15(6-4-14)30-16-7-9-22-10-8-16/h3-12H,1-2H3,(H2,23,24,25)