methyl 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetate CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetate Traditional Name: 2-(4-tosylpiperazino)acetic acid methyl ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)OC

InChI

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