methyl 2-[3-oxidanylidene-1-(4-propylphenyl)sulfonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-1-(4-propylphenyl)sulfonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-(4-propylphenyl)sulfonyl-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-(4-propylphenyl)sulfonyl-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-(4-propylphenyl)sulfonylpiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(4-propylphenyl)sulfonyl-piperazin-2-yl]acetic acid methyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)OC

InChI

InChI=1S/C16H22N2O5S/c1-3-4-12-5-7-13(8-6-12)24(21,22)18-10-9-17-16(20)14(18)11-15(19)23-2/h5-8,14H,3-4,9-11H2,1-2H3,(H,17,20)