3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoic acid

Systemtic Name: 3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoic acid Openeye Name: 3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoic acid CAS Name: 3-[[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]anilino]-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-5-nitrobenzoic acid Traditional Name: 3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoic acid Formula: C19H15N5O7S MolecularWeight: 457.4167

Click to see the large picture

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)O

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)O

InChI

InChI=1S/C19H15N5O7S/c1-11-6-7-20-19(21-11)23-32(30,31)16-4-2-14(3-5-16)22-17(25)12-8-13(18(26)27)10-15(9-12)24(28)29/h2-10H,1H3,(H,22,25)(H,26,27)(H,20,21,23)