4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-keto-2-(4-tosylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C17H25N4O4S+ MolecularWeight: 381.4698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C17H24N4O4S/c1-14-2-4-15(5-3-14)26(24,25)21-10-8-20(9-11-21)17(23)13-19-7-6-18-16(22)12-19/h2-5H,6-13H2,1H3,(H,18,22)/p+1