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

Systemtic Name: N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-nitro-benzenesulfonamide CAS Name: N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(1-m-anisyl-3,5-dimethyl-pyrazol-4-yl)-3-nitro-benzenesulfonamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5S/c1-13-19(21-29(26,27)18-9-5-7-16(11-18)23(24)25)14(2)22(20-13)12-15-6-4-8-17(10-15)28-3/h4-11,21H,12H2,1-3H3