N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitro-aniline

Systemtic Name: N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitro-aniline Openeye Name: N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitro-aniline CAS Name: N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-N-[(1-methyl-4-pyrazolyl)methyl]-2-nitroaniline IUPAC Name: N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitroaniline Traditional Name: methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-[(1-methylpyrazol-4-yl)methyl]amine Formula: C17H24N6O4S MolecularWeight: 408.47526

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CN(N=C3)C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CN(N=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N6O4S/c1-19-6-8-22(9-7-19)28(26,27)15-4-5-16(17(10-15)23(24)25)20(2)12-14-11-18-21(3)13-14/h4-5,10-11,13H,6-9,12H2,1-3H3