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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

InChI=1S/C18H26N2O5S/c1-13(2)8-11-25-17(21)12-16-18(22)19-9-10-20(16)26(23,24)15-6-4-14(3)5-7-15/h4-7,13,16H,8-12H2,1-3H3,(H,19,22)