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

Systemtic Name: methyl 2-[1-(3,4-dimethylphenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(3,4-dimethylphenyl)sulfonyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-(3,4-dimethylphenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(3,4-dimethylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3,4-dimethylphenyl)sulfonyl-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)OC)C

InChI

InChI=1S/C15H20N2O5S/c1-10-4-5-12(8-11(10)2)23(20,21)17-7-6-16-15(19)13(17)9-14(18)22-3/h4-5,8,13H,6-7,9H2,1-3H3,(H,16,19)