3,5-dimethyl-1-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)pyrazol-4-amine

Systemtic Name: 3,5-dimethyl-1-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)pyrazol-4-amine Openeye Name: 3,5-dimethyl-N-(4-morpholinosulfonyl-2-nitro-phenyl)-1-(p-tolyl)pyrazol-4-amine CAS Name: 3,5-dimethyl-1-(4-methylphenyl)-N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-pyrazolamine IUPAC Name: 3,5-dimethyl-1-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)pyrazol-4-amine Traditional Name: [3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N5O5S/c1-15-4-6-18(7-5-15)26-17(3)22(16(2)24-26)23-20-9-8-19(14-21(20)27(28)29)33(30,31)25-10-12-32-13-11-25/h4-9,14,23H,10-13H2,1-3H3