[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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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(=CC(=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S/c1-16-4-6-20(7-5-16)32(27,28)24-10-8-23(9-11-24)21(25)15-31-22(26)17-12-18(29-2)14-19(13-17)30-3/h4-7,12-14H,8-11,15H2,1-3H3