4-chloranyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-chloranyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-3-nitro-N-[4-(o-tolylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-3-nitro-N-[4-(o-tolylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide Formula: C17H14ClN5O5S MolecularWeight: 435.84156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN5O5S/c1-10-4-2-3-5-13(10)22-29(27,28)12-8-6-11(7-9-12)19-17(24)15-14(18)16(21-20-15)23(25)26/h2-9,22H,1H3,(H,19,24)(H,20,21)