(4-chloranyl-2-methyl-phenyl) 4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanoate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanoate Openeye Name: (4-chloro-2-methyl-phenyl) 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxobutanoic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-(4-besylpiperazino)-4-keto-butyric acid (4-chloro-2-methyl-phenyl) ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O5S/c1-16-15-17(22)7-8-19(16)29-21(26)10-9-20(25)23-11-13-24(14-12-23)30(27,28)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3