N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-methoxy-2-nitro-benzenesulfonamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-methoxy-2-nitro-benzenesulfonamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-methoxy-2-nitro-benzenesulfonamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-methoxy-2-nitrobenzenesulfonamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxy-2-nitrobenzenesulfonamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-methoxy-2-nitro-benzenesulfonamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NS(=O)(=O)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NS(=O)(=O)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-12-18(13(2)21(19-12)14-7-5-4-6-8-14)20-28(25,26)17-10-9-15(27-3)11-16(17)22(23)24/h4-11,20H,1-3H3