N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C22H24N6O5S MolecularWeight: 484.52816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O5S/c1-16-20(17(2)27(25-16)18-6-4-3-5-7-18)15-23-24-21-9-8-19(14-22(21)28(29)30)34(31,32)26-10-12-33-13-11-26/h3-9,14-15,24H,10-13H2,1-2H3