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

Systemtic Name: methyl 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzoate Openeye Name: methyl 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzoate CAS Name: 4-[(4-methyl-1-piperazinyl)sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzoate Traditional Name: 4-[(4-methylpiperazino)sulfonylmethyl]benzoic acid methyl ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)OC

InChI

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