[4-[(3-methyl-2-nitro-phenyl)carbonylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[(3-methyl-2-nitro-phenyl)carbonylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[(3-methyl-2-nitro-benzoyl)amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[(3-methyl-2-nitrophenyl)-oxomethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[(3-methyl-2-nitrobenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[(3-methyl-2-nitro-benzoyl)amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C18H14N5O5S- MolecularWeight: 412.39926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=NC=CC=N3

InChI

InChI=1S/C18H15N5O5S/c1-12-4-2-5-15(16(12)23(25)26)17(24)21-13-6-8-14(9-7-13)29(27,28)22-18-19-10-3-11-20-18/h2-11H,1H3,(H2,19,20,21,22,24)/p-1