methyl 2-[[4-chloranyl-5-(2-chloroethyl)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[[4-chloranyl-5-(2-chloroethyl)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[[4-chloro-5-(2-chloroethyl)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoate CAS Name: 2-[[[[4-chloro-5-(2-chloroethyl)-6-methyl-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-chloro-5-(2-chloroethyl)-6-methylpyrimidin-2-yl]carbamoylsulfamoyl]benzoate Traditional Name: 2-[[4-chloro-5-(2-chloroethyl)-6-methyl-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid methyl ester Formula: C16H16Cl2N4O5S MolecularWeight: 447.29304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)Cl)CCCl

Isomeric SMILES

CC1=C(C(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)Cl)CCCl

InChI

InChI=1S/C16H16Cl2N4O5S/c1-9-10(7-8-17)13(18)20-15(19-9)21-16(24)22-28(25,26)12-6-4-3-5-11(12)14(23)27-2/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,24)