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

Systemtic Name: methyl 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetate CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]acetate Traditional Name: 2-[4-(4-chlorophenyl)sulfonylpiperazino]acetic acid methyl ester Formula: C13H17ClN2O4S MolecularWeight: 332.80308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H17ClN2O4S/c1-20-13(17)10-15-6-8-16(9-7-15)21(18,19)12-4-2-11(14)3-5-12/h2-5H,6-10H2,1H3