N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[1-[5-methyl-1-(p-tolyl)pyrazol-4-yl]ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[1-[5-methyl-1-(4-methylphenyl)-4-pyrazolyl]ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[1-[5-methyl-1-(p-tolyl)pyrazol-4-yl]ethyl]-2-nitro-benzenesulfonamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-13-8-10-16(11-9-13)22-15(3)17(12-20-22)14(2)21-28(26,27)19-7-5-4-6-18(19)23(24)25/h4-12,14,21H,1-3H3