N-methyl-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline

Systemtic Name: N-methyl-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline Openeye Name: N-methyl-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: N-methyl-5-(4-methylsulfonyl-1-piperazinyl)-2-nitroaniline IUPAC Name: N-methyl-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: [5-(4-mesylpiperazino)-2-nitro-phenyl]-methyl-amine Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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