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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)N2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1N)N2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O4S/c1-9-7-12(16(17)18)11(8-10(9)13)14-3-5-15(6-4-14)21(2,19)20/h7-8H,3-6,13H2,1-2H3