methyl 4-[(4-methanoylpiperazin-1-yl)sulfonylmethyl]benzoate

Systemtic Name: methyl 4-[(4-methanoylpiperazin-1-yl)sulfonylmethyl]benzoate Openeye Name: methyl 4-[(4-formylpiperazin-1-yl)sulfonylmethyl]benzoate CAS Name: 4-[(4-formyl-1-piperazinyl)sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-formylpiperazin-1-yl)sulfonylmethyl]benzoate Traditional Name: 4-[(4-formylpiperazino)sulfonylmethyl]benzoic acid methyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)N2CCN(CC2)C=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)N2CCN(CC2)C=O

InChI

InChI=1S/C14H18N2O5S/c1-21-14(18)13-4-2-12(3-5-13)10-22(19,20)16-8-6-15(11-17)7-9-16/h2-5,11H,6-10H2,1H3