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

Systemtic Name: (4-ethylphenyl)-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-ethylphenyl)-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]ammonium CAS Name: (4-ethylphenyl)-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: (4-ethylphenyl)-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium Traditional Name: (4-ethylphenyl)-[2-keto-2-(4-tosylpiperazino)ethyl]ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H27N3O3S/c1-3-18-6-8-19(9-7-18)22-16-21(25)23-12-14-24(15-13-23)28(26,27)20-10-4-17(2)5-11-20/h4-11,22H,3,12-16H2,1-2H3/p+1