methyl 3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoate CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoate Traditional Name: 3-[(4-besylpiperazino)methyl]benzoic acid methyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S/c1-25-19(22)17-7-5-6-16(14-17)15-20-10-12-21(13-11-20)26(23,24)18-8-3-2-4-9-18/h2-9,14H,10-13,15H2,1H3