N-[5-methyl-2-(2-methylphenyl)-4-phenyl-pyrazol-3-yl]-2-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-[5-methyl-2-(2-methylphenyl)-4-phenyl-pyrazol-3-yl]-2-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]ethanamide Openeye Name: 2-[isobutyl-(4-nitrophenyl)sulfonyl-amino]-N-[5-methyl-2-(o-tolyl)-4-phenyl-pyrazol-3-yl]acetamide CAS Name: N-[5-methyl-2-(2-methylphenyl)-4-phenyl-3-pyrazolyl]-2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]acetamide IUPAC Name: N-[5-methyl-2-(2-methylphenyl)-4-phenylpyrazol-3-yl]-2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]acetamide Traditional Name: 2-[isobutyl(nosyl)amino]-N-[5-methyl-2-(o-tolyl)-4-phenyl-pyrazol-3-yl]acetamide Formula: C29H31N5O5S MolecularWeight: 561.65194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=N2)C)C3=CC=CC=C3)NC(=O)CN(CC(C)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=N2)C)C3=CC=CC=C3)NC(=O)CN(CC(C)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H31N5O5S/c1-20(2)18-32(40(38,39)25-16-14-24(15-17-25)34(36)37)19-27(35)30-29-28(23-11-6-5-7-12-23)22(4)31-33(29)26-13-9-8-10-21(26)3/h5-17,20H,18-19H2,1-4H3,(H,30,35)