N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline

Systemtic Name: N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-methyl-2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: N-methyl-5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: methyl-[2-nitro-5-(4-tosylpiperazino)phenyl]amine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC

InChI

InChI=1S/C18H22N4O4S/c1-14-3-6-16(7-4-14)27(25,26)21-11-9-20(10-12-21)15-5-8-18(22(23)24)17(13-15)19-2/h3-8,13,19H,9-12H2,1-2H3