(2-bromophenyl)methyl-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (2-bromophenyl)methyl-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-bromophenyl)methyl-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-bromophenyl)methyl-[2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-methylammonium IUPAC Name: (2-bromophenyl)methyl-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: (2-bromobenzyl)-[2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl]-methyl-ammonium Formula: C21H24BrN4O3S+ MolecularWeight: 492.40926

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1Br)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C[NH+](CC1=CC=CC=C1Br)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H23BrN4O3S/c1-24(15-18-7-2-4-8-19(18)22)16-21(27)25-10-12-26(13-11-25)30(28,29)20-9-5-3-6-17(20)14-23/h2-9H,10-13,15-16H2,1H3/p+1