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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-2-nitro-aniline Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-2-nitro-aniline CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-2-nitroaniline IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-2-nitroaniline Traditional Name: [(1S)-1-(4-mesylphenyl)ethyl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C20H27N4O6S2+ MolecularWeight: 483.58158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O6S2/c1-15(16-4-6-17(7-5-16)31(3,27)28)21-19-9-8-18(14-20(19)24(25)26)32(29,30)23-12-10-22(2)11-13-23/h4-9,14-15,21H,10-13H2,1-3H3/p+1/t15-/m0/s1