1H-benzimidazol-2-ylsulfonylmethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate

Systemtic Name: 1H-benzimidazol-2-ylsulfonylmethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate Openeye Name: 1H-benzimidazol-2-ylsulfonylmethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-quinolinecarboxylic acid 1H-benzimidazol-2-ylsulfonylmethyl ester IUPAC Name: 1H-benzimidazol-2-ylsulfonylmethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylic acid 1H-benzimidazol-2-ylsulfonylmethyl ester Formula: C28H25N3O8S MolecularWeight: 563.5784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=NC3=CC(=C(C=C32)OC)OC)C(=O)OCS(=O)(=O)C4=NC5=CC=CC=C5N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=NC3=CC(=C(C=C32)OC)OC)C(=O)OCS(=O)(=O)C4=NC5=CC=CC=C5N4)OC

InChI

InChI=1S/C28H25N3O8S/c1-35-22-10-9-16(11-23(22)36-2)26-17-12-24(37-3)25(38-4)13-21(17)29-14-18(26)27(32)39-15-40(33,34)28-30-19-7-5-6-8-20(19)31-28/h5-14H,15H2,1-4H3,(H,30,31)