N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-nitro-benzenesulfonamide Openeye Name: 3-nitro-N-[1-(o-tolylmethyl)pyrazol-4-yl]benzenesulfonamide CAS Name: N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[1-(2-methylbenzyl)pyrazol-4-yl]-3-nitro-benzenesulfonamide Formula: C17H16N4O4S MolecularWeight: 372.39834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4S/c1-13-5-2-3-6-14(13)11-20-12-15(10-18-20)19-26(24,25)17-8-4-7-16(9-17)21(22)23/h2-10,12,19H,11H2,1H3