methyl 3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate

Systemtic Name: methyl 3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate Openeye Name: methyl 3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate CAS Name: 3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate Traditional Name: 3-[(4-mesylpiperazino)methyl]benzoic acid methyl ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-20-14(17)13-5-3-4-12(10-13)11-15-6-8-16(9-7-15)21(2,18)19/h3-5,10H,6-9,11H2,1-2H3