N,N-diethyl-4-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-(5-methyl-2-oxidanyl-phenyl)carbonylpyrazol-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-(2-hydroxy-5-methyl-benzoyl)pyrazol-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-(2-hydroxy-5-methylbenzoyl)pyrazol-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(2-hydroxy-5-methyl-benzoyl)pyrazol-1-yl]-3-nitro-benzenesulfonamide Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)C)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)C)O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S/c1-4-23(5-2)32(30,31)16-7-8-18(19(11-16)25(28)29)24-13-15(12-22-24)21(27)17-10-14(3)6-9-20(17)26/h6-13,26H,4-5H2,1-3H3