N-[2-[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-[3-(4-ethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-[3-(4-ethoxyphenyl)-6-oxo-pyridazin-1-yl]ethyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[2-[3-(4-ethoxyphenyl)-6-oxo-1-pyridazinyl]ethyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-(6-keto-3-p-phenetyl-pyridazin-1-yl)ethyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCNS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCNS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O6S/c1-3-31-18-8-5-16(6-9-18)19-10-11-21(26)24(23-19)13-12-22-32(29,30)20-14-17(25(27)28)7-4-15(20)2/h4-11,14,22H,3,12-13H2,1-2H3