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

Systemtic Name: N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O4S/c1-13-11-4-3-10(9-12(11)16(17)18)21(19,20)15-7-5-14(2)6-8-15/h3-4,9,13H,5-8H2,1-2H3