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

Systemtic Name: 3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: 3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]anilino]-oxomethyl]-5-nitrobenzoate IUPAC Name: 3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-5-nitro-benzoate Formula: C19H14N5O7S- MolecularWeight: 456.40876

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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)[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)/p-1