5-(dibutylamino)-4-[(3,4-dichlorophenyl)sulfinylmethyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(dibutylamino)-4-[(3,4-dichlorophenyl)sulfinylmethyl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(dibutylamino)-4-[(3,4-dichlorophenyl)sulfinylmethyl]-5-oxo-pentanoic acid CAS Name: 5-(dibutylamino)-4-[(3,4-dichlorophenyl)sulfinylmethyl]-5-oxopentanoic acid IUPAC Name: 5-(dibutylamino)-4-[(3,4-dichlorophenyl)sulfinylmethyl]-5-oxopentanoic acid Traditional Name: 5-(dibutylamino)-4-[(3,4-dichlorophenyl)sulfinylmethyl]-5-keto-valeric acid Formula: C20H29Cl2NO4S MolecularWeight: 450.41956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)C(CCC(=O)O)CS(=O)C1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCN(CCCC)C(=O)C(CCC(=O)O)CS(=O)C1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C20H29Cl2NO4S/c1-3-5-11-23(12-6-4-2)20(26)15(7-10-19(24)25)14-28(27)16-8-9-17(21)18(22)13-16/h8-9,13,15H,3-7,10-12,14H2,1-2H3,(H,24,25)