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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 3,4-dimethoxybenzoate Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 2-(4-tosylpiperazino)ethyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-17-4-7-19(8-5-17)31(26,27)24-12-10-23(11-13-24)14-15-30-22(25)18-6-9-20(28-2)21(16-18)29-3/h4-9,16H,10-15H2,1-3H3