1-methyl-4-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfanylphenyl]sulfonyl-piperazine

Systemtic Name: 1-methyl-4-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfanylphenyl]sulfonyl-piperazine Openeye Name: 1-methyl-4-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfanylphenyl]sulfonyl-piperazine CAS Name: 1-methyl-4-[4-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]thio]phenyl]sulfonylpiperazine IUPAC Name: 1-methyl-4-[4-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfanylphenyl]sulfonylpiperazine Traditional Name: 1-methyl-4-[4-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thio]phenyl]sulfonyl-piperazine Formula: C22H31N4O4S3+ MolecularWeight: 511.70094

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C22H30N4O4S3/c1-23-11-15-25(16-12-23)32(27,28)21-7-3-19(4-8-21)31-20-5-9-22(10-6-20)33(29,30)26-17-13-24(2)14-18-26/h3-10H,11-18H2,1-2H3/p+1