4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(4-propan-2-ylphenyl)aniline

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(4-propan-2-ylphenyl)aniline Openeye Name: N-(4-isopropylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitro-N-(4-propan-2-ylphenyl)aniline IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(4-propan-2-ylphenyl)aniline Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-p-cumenyl-amine Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-15(2)16-4-6-17(7-5-16)21-19-9-8-18(14-20(19)24(25)26)29(27,28)23-12-10-22(3)11-13-23/h4-9,14-15,21H,10-13H2,1-3H3/p+1