N-[2-(2-methylphenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(2-methylphenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-[2-(o-tolyl)ethyl]aniline CAS Name: N-[2-(2-methylphenyl)ethyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(2-methylphenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-[2-(o-tolyl)ethyl]amine Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CCNC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-16-5-3-4-6-17(16)9-10-21-19-8-7-18(15-20(19)24(25)26)29(27,28)23-13-11-22(2)12-14-23/h3-8,15,21H,9-14H2,1-2H3/p+1