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

Systemtic Name: 2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-nitro-aniline Openeye Name: 2-methyl-4-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: 2-methyl-5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-nitroaniline IUPAC Name: 2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-nitroaniline Traditional Name: [2-methyl-4-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=C(C=C(C(=C3)N)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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