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

Systemtic Name: 3,5-dimethyl-N-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-1-phenyl-pyrazol-4-amine Openeye Name: 3,5-dimethyl-N-(4-morpholinosulfonyl-2-nitro-phenyl)-1-phenyl-pyrazol-4-amine CAS Name: 3,5-dimethyl-N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-1-phenyl-4-pyrazolamine IUPAC Name: 3,5-dimethyl-N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-1-phenylpyrazol-4-amine Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5S/c1-15-21(16(2)25(23-15)17-6-4-3-5-7-17)22-19-9-8-18(14-20(19)26(27)28)32(29,30)24-10-12-31-13-11-24/h3-9,14,22H,10-13H2,1-2H3