N-[4-[5-azanyl-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[5-azanyl-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[5-amino-1-(p-tolyl)pyrazol-3-yl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[5-amino-1-(4-methylphenyl)-3-pyrazolyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[5-amino-1-(p-tolyl)pyrazol-3-yl]phenyl]-3-nitro-benzenesulfonamide Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])N

InChI

InChI=1S/C22H19N5O4S/c1-15-5-11-18(12-6-15)26-22(23)14-21(24-26)16-7-9-17(10-8-16)25-32(30,31)20-4-2-3-19(13-20)27(28)29/h2-14,25H,23H2,1H3