N-methyl-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline

Systemtic Name: N-methyl-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-2-nitro-aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-N-methyl-2-nitroaniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-2-nitroaniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-methyl-amine Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S/c1-18-16-13-14(7-8-17(16)21(22)23)19-9-11-20(12-10-19)26(24,25)15-5-3-2-4-6-15/h2-8,13,18H,9-12H2,1H3