N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-nitro-benzenesulfonamide Openeye Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-nitro-benzenesulfonamide CAS Name: N-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-2-nitrobenzenesulfonamide IUPAC Name: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-nitrobenzenesulfonamide Traditional Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-nitro-benzenesulfonamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c1-13-18(14(2)21(19-13)12-15-8-4-3-5-9-15)20-27(25,26)17-11-7-6-10-16(17)22(23)24/h3-11,20H,12H2,1-2H3