2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-1-(3-methoxyphenyl)ethanone IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(3-methoxyphenyl)ethanone Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-1-(3-methoxyphenyl)ethanone Formula: C19H22BrN2O4S+ MolecularWeight: 454.35798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2O4S/c1-26-17-4-2-3-15(13-17)19(23)14-21-9-11-22(12-10-21)27(24,25)18-7-5-16(20)6-8-18/h2-8,13H,9-12,14H2,1H3/p+1