methyl 3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H17N5O7S MolecularWeight: 471.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H17N5O7S/c1-12-7-8-21-20(22-12)24-33(30,31)17-5-3-15(4-6-17)23-18(26)13-9-14(19(27)32-2)11-16(10-13)25(28)29/h3-11H,1-2H3,(H,23,26)(H,21,22,24)