2-[[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-bromanyl-phenolate

Systemtic Name: 2-[[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-bromanyl-phenolate Openeye Name: 2-[[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-bromo-phenolate CAS Name: 2-[[4-(4-acetamidophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-bromophenolate IUPAC Name: 2-[[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-bromophenolate Traditional Name: 2-[[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-bromo-phenolate Formula: C19H22BrN3O4S MolecularWeight: 468.36468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)[O-]

InChI

InChI=1S/C19H22BrN3O4S/c1-14(24)21-17-3-5-18(6-4-17)28(26,27)23-10-8-22(9-11-23)13-15-12-16(20)2-7-19(15)25/h2-7,12,25H,8-11,13H2,1H3,(H,21,24)