methyl 3-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]benzoate

Systemtic Name: methyl 3-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]benzoate Openeye Name: methyl 3-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]benzoate CAS Name: 3-[[4-[(1-methyl-2-imidazolyl)thio]phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]benzoate Traditional Name: 3-[[4-[(1-methylimidazol-2-yl)thio]phenyl]sulfamoyl]benzoic acid methyl ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CN1C=CN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O4S2/c1-21-11-10-19-18(21)26-15-8-6-14(7-9-15)20-27(23,24)16-5-3-4-13(12-16)17(22)25-2/h3-12,20H,1-2H3