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

Systemtic Name: decyl 2-[1-(4-methylphenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 2-[3-oxo-1-(p-tolylsulfonyl)piperazin-2-yl]acetate CAS Name: 2-[1-(4-methylphenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-(3-keto-1-tosyl-piperazin-2-yl)acetic acid decyl ester Formula: C23H36N2O5S MolecularWeight: 452.60734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O5S/c1-3-4-5-6-7-8-9-10-17-30-22(26)18-21-23(27)24-15-16-25(21)31(28,29)20-13-11-19(2)12-14-20/h11-14,21H,3-10,15-18H2,1-2H3,(H,24,27)