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

Systemtic Name: ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]ammonium CAS Name: ethyl-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium Traditional Name: benzyl-ethyl-[2-keto-2-(4-tosylpiperazino)ethyl]ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H29N3O3S/c1-3-23(17-20-7-5-4-6-8-20)18-22(26)24-13-15-25(16-14-24)29(27,28)21-11-9-19(2)10-12-21/h4-12H,3,13-18H2,1-2H3/p+1