1-(3-methylsulfonylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(3-methylsulfonylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(3-methylsulfonylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(3-methylsulfonylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(3-methylsulfonylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(3-mesylphenyl)sulfonyl-piperazin-1-ium Formula: C18H23N2O4S2+ MolecularWeight: 395.51622

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O4S2/c1-25(21,22)17-8-5-9-18(14-17)26(23,24)20-12-10-19(11-13-20)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3/p+1