5-[(3,4-dichlorophenyl)sulfinylmethyl]-6-(dipentylamino)-6-oxidanylidene-hexanoic acid

Systemtic Name: 5-[(3,4-dichlorophenyl)sulfinylmethyl]-6-(dipentylamino)-6-oxidanylidene-hexanoic acid Openeye Name: 5-[(3,4-dichlorophenyl)sulfinylmethyl]-6-(dipentylamino)-6-oxo-hexanoic acid CAS Name: 5-[(3,4-dichlorophenyl)sulfinylmethyl]-6-(dipentylamino)-6-oxohexanoic acid IUPAC Name: 5-[(3,4-dichlorophenyl)sulfinylmethyl]-6-(dipentylamino)-6-oxohexanoic acid Traditional Name: 6-(diamylamino)-5-[(3,4-dichlorophenyl)sulfinylmethyl]-6-keto-hexanoic acid Formula: C23H35Cl2NO4S MolecularWeight: 492.4993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35Cl2NO4S/c1-3-5-7-14-26(15-8-6-4-2)23(29)18(10-9-11-22(27)28)17-31(30)19-12-13-20(24)21(25)16-19/h12-13,16,18H,3-11,14-15,17H2,1-2H3,(H,27,28)