methyl 3-(piperazin-1-ylsulfonylmethyl)benzoate

Systemtic Name: methyl 3-(piperazin-1-ylsulfonylmethyl)benzoate Openeye Name: methyl 3-(piperazin-1-ylsulfonylmethyl)benzoate CAS Name: 3-(1-piperazinylsulfonylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(piperazin-1-ylsulfonylmethyl)benzoate Traditional Name: 3-(piperazinosulfonylmethyl)benzoic acid methyl ester Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CS(=O)(=O)N2CCNCC2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CS(=O)(=O)N2CCNCC2

InChI

InChI=1S/C13H18N2O4S/c1-19-13(16)12-4-2-3-11(9-12)10-20(17,18)15-7-5-14-6-8-15/h2-4,9,14H,5-8,10H2,1H3