methyl 3-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]benzoate

Systemtic Name: methyl 3-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]benzoate Openeye Name: methyl 3-[[4-(3-pyridylsulfonyl)piperazin-1-yl]methyl]benzoate CAS Name: 3-[[4-(3-pyridinylsulfonyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]benzoate Traditional Name: 3-[[4-(3-pyridylsulfonyl)piperazino]methyl]benzoic acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-25-18(22)16-5-2-4-15(12-16)14-20-8-10-21(11-9-20)26(23,24)17-6-3-7-19-13-17/h2-7,12-13H,8-11,14H2,1H3