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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1N)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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