methyl 5-[(3,4-dichlorophenyl)sulfinylmethyl]-6-(dipentylamino)-6-oxidanylidene-hexanoate

Systemtic Name: methyl 5-[(3,4-dichlorophenyl)sulfinylmethyl]-6-(dipentylamino)-6-oxidanylidene-hexanoate Openeye Name: methyl 5-[(3,4-dichlorophenyl)sulfinylmethyl]-6-(dipentylamino)-6-oxo-hexanoate CAS Name: 5-[(3,4-dichlorophenyl)sulfinylmethyl]-6-(dipentylamino)-6-oxohexanoic acid methyl ester IUPAC Name: methyl 5-[(3,4-dichlorophenyl)sulfinylmethyl]-6-(dipentylamino)-6-oxohexanoate Traditional Name: 6-(diamylamino)-5-[(3,4-dichlorophenyl)sulfinylmethyl]-6-keto-hexanoic acid methyl ester Formula: C24H37Cl2NO4S MolecularWeight: 506.52588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCCC(=O)OC)CS(=O)C1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CCCC(=O)OC)CS(=O)C1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C24H37Cl2NO4S/c1-4-6-8-15-27(16-9-7-5-2)24(29)19(11-10-12-23(28)31-3)18-32(30)20-13-14-21(25)22(26)17-20/h13-14,17,19H,4-12,15-16,18H2,1-3H3