1-(5-bromanylthiophen-2-yl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium Formula: C21H22BrN2O2S2+ MolecularWeight: 478.44558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C21H21BrN2O2S2/c22-19-11-12-20(27-19)28(25,26)24-15-13-23(14-16-24)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,21H,13-16H2/p+1