1-(diphenylmethyl)-4-(3-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(diphenylmethyl)-4-(3-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzhydryl-4-(m-tolylsulfonyl)piperazin-1-ium CAS Name: 1-(diphenylmethyl)-4-(3-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzhydryl-4-(3-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-(m-tolylsulfonyl)piperazin-1-ium Formula: C24H27N2O2S+ MolecularWeight: 407.54838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O2S/c1-20-9-8-14-23(19-20)29(27,28)26-17-15-25(16-18-26)24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,19,24H,15-18H2,1H3/p+1