[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 5-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 5-methoxy-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] 2-hydroxy-5-methoxy-benzoate CAS Name: 2-hydroxy-5-methoxybenzoic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-hydroxy-5-methoxybenzoate Traditional Name: 2-hydroxy-5-methoxy-benzoic acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S/c1-15-3-6-17(7-4-15)31(27,28)23-11-9-22(10-12-23)20(25)14-30-21(26)18-13-16(29-2)5-8-19(18)24/h3-8,13,24H,9-12,14H2,1-2H3