N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[(2S)-2-(4-methylphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]-4-nitro-benzenesulfonamide Formula: C20H28N4O4S+2 MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C20H26N4O4S/c1-16-3-5-17(6-4-16)20(23-13-11-22(2)12-14-23)15-21-29(27,28)19-9-7-18(8-10-19)24(25)26/h3-10,20-21H,11-15H2,1-2H3/p+2/t20-/m1/s1