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

Systemtic Name: (2-chlorophenyl)methyl-methyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (2-chlorophenyl)methyl-methyl-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]ammonium CAS Name: (2-chlorophenyl)methyl-methyl-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: (2-chlorophenyl)methyl-methyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium Traditional Name: (2-chlorobenzyl)-[2-keto-2-(4-tosylpiperazino)ethyl]-methyl-ammonium Formula: C21H27ClN3O3S+ MolecularWeight: 436.97538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H26ClN3O3S/c1-17-7-9-19(10-8-17)29(27,28)25-13-11-24(12-14-25)21(26)16-23(2)15-18-5-3-4-6-20(18)22/h3-10H,11-16H2,1-2H3/p+1