methyl 5-(dipentylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-(dipentylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-(dipentylamino)-5-oxo-4-(p-tolylsulfonylmethyl)pentanoate CAS Name: 5-(dipentylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(dipentylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoate Traditional Name: 5-(diamylamino)-5-keto-4-(tosylmethyl)valeric acid methyl ester Formula: C24H39NO5S MolecularWeight: 453.63516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCC(=O)OC)CS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CCC(=O)OC)CS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C24H39NO5S/c1-5-7-9-17-25(18-10-8-6-2)24(27)21(13-16-23(26)30-4)19-31(28,29)22-14-11-20(3)12-15-22/h11-12,14-15,21H,5-10,13,16-19H2,1-4H3