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

Systemtic Name: pentyl 2-[1-(4-methylphenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[3-oxo-1-(p-tolylsulfonyl)piperazin-2-yl]acetate CAS Name: 2-[1-(4-methylphenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-(3-keto-1-tosyl-piperazin-2-yl)acetic acid amyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-3-4-5-12-25-17(21)13-16-18(22)19-10-11-20(16)26(23,24)15-8-6-14(2)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3,(H,19,22)