4-[[[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]methylamino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]methylamino]methyl]benzenesulfonamide Openeye Name: 4-[[[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]methylamino]methyl]benzenesulfonamide CAS Name: 4-[[[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]methylamino]methyl]benzenesulfonamide IUPAC Name: 4-[[[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]methylamino]methyl]benzenesulfonamide Traditional Name: 4-[[[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]methylamino]methyl]benzenesulfonamide Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=CNCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5S/c1-12-17(11-20-10-13-2-8-16(9-3-13)29(19,27)28)18(24)22(21-12)14-4-6-15(7-5-14)23(25)26/h2-9,11,20H,10H2,1H3,(H2,19,27,28)