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

Systemtic Name: methyl 5-(dipentylamino)-4-[(4-ethanoylphenyl)sulfonylmethyl]-5-oxidanylidene-pentanoate Openeye Name: methyl 4-[(4-acetylphenyl)sulfonylmethyl]-5-(dipentylamino)-5-oxo-pentanoate CAS Name: 4-[(4-acetylphenyl)sulfonylmethyl]-5-(dipentylamino)-5-oxopentanoic acid methyl ester IUPAC Name: methyl 4-[(4-acetylphenyl)sulfonylmethyl]-5-(dipentylamino)-5-oxopentanoate Traditional Name: 4-[(4-acetylphenyl)sulfonylmethyl]-5-(diamylamino)-5-keto-valeric acid methyl ester Formula: C25H39NO6S MolecularWeight: 481.64526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39NO6S/c1-5-7-9-17-26(18-10-8-6-2)25(29)22(13-16-24(28)32-4)19-33(30,31)23-14-11-21(12-15-23)20(3)27/h11-12,14-15,22H,5-10,13,16-19H2,1-4H3