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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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