[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: [2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-benzyl-methyl-ammonium CAS Name: [2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: [2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-benzyl-methylazanium Traditional Name: [2-[4-(4-acetylphenyl)sulfonylpiperazino]-2-keto-ethyl]-benzyl-methyl-ammonium Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S/c1-18(26)20-8-10-21(11-9-20)30(28,29)25-14-12-24(13-15-25)22(27)17-23(2)16-19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3/p+1