dodecyl 2-[1-(4-methylphenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-(4-methylphenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[3-oxo-1-(p-tolylsulfonyl)piperazin-2-yl]acetate CAS Name: 2-[1-(4-methylphenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-(3-keto-1-tosyl-piperazin-2-yl)acetic acid lauryl ester Formula: C25H40N2O5S MolecularWeight: 480.6605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C25H40N2O5S/c1-3-4-5-6-7-8-9-10-11-12-19-32-24(28)20-23-25(29)26-17-18-27(23)33(30,31)22-15-13-21(2)14-16-22/h13-16,23H,3-12,17-20H2,1-2H3,(H,26,29)