methyl 4-(2-chloroethylcarbamoylamino)-2-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]benzoate

Systemtic Name: methyl 4-(2-chloroethylcarbamoylamino)-2-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]benzoate Openeye Name: methyl 4-(2-chloroethylcarbamoylamino)-2-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]benzoate CAS Name: 4-[[(2-chloroethylamino)-oxomethyl]amino]-2-[(4,6-dimethoxy-2-pyrimidinyl)sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-(2-chloroethylcarbamoylamino)-2-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]benzoate Traditional Name: 4-(2-chloroethylcarbamoylamino)-2-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]benzoic acid methyl ester Formula: C17H20ClN5O7S MolecularWeight: 473.888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)NCCCl)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)NCCCl)C(=O)OC)OC

InChI

InChI=1S/C17H20ClN5O7S/c1-28-13-9-14(29-2)22-16(21-13)23-31(26,27)12-8-10(20-17(25)19-7-6-18)4-5-11(12)15(24)30-3/h4-5,8-9H,6-7H2,1-3H3,(H2,19,20,25)(H,21,22,23)