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

Systemtic Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C22H27N4O4S+ MolecularWeight: 443.53918

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H26N4O4S/c1-24(15-16-30-20-8-3-2-4-9-20)18-22(27)25-11-13-26(14-12-25)31(28,29)21-10-6-5-7-19(21)17-23/h2-10H,11-16,18H2,1H3/p+1