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

Systemtic Name: N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-2-nitro-benzenesulfonamide CAS Name: N-[1-[(3-methoxyphenyl)methyl]-4-pyrazolyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-2-nitrobenzenesulfonamide Traditional Name: N-(1-m-anisylpyrazol-4-yl)-2-nitro-benzenesulfonamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=C(C=N2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=C(C=N2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c1-26-15-6-4-5-13(9-15)11-20-12-14(10-18-20)19-27(24,25)17-8-3-2-7-16(17)21(22)23/h2-10,12,19H,11H2,1H3