N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C23H28N6O4S MolecularWeight: 484.57122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O4S/c1-17-21(18(2)28(25-17)19-7-5-4-6-8-19)16-24-22-10-9-20(15-23(22)29(30)31)34(32,33)27-13-11-26(3)12-14-27/h4-10,15,24H,11-14,16H2,1-3H3