[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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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=CC=C(C=C3)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-17(2)31-20-8-6-19(7-9-20)23(27)30-16-22(26)24-12-14-25(15-13-24)32(28,29)21-10-4-18(3)5-11-21/h4-11,17H,12-16H2,1-3H3