1-(diphenylmethyl)-4-(4-methylsulfanylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(diphenylmethyl)-4-(4-methylsulfanylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzhydryl-4-(4-methylsulfanylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(diphenylmethyl)-4-[4-(methylthio)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-benzhydryl-4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-[4-(methylthio)phenyl]sulfonyl-piperazin-1-ium Formula: C24H27N2O2S2+ MolecularWeight: 439.61338

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O2S2/c1-29-22-12-14-23(15-13-22)30(27,28)26-18-16-25(17-19-26)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24H,16-19H2,1H3/p+1