2-acetamido-2-(4-but-2-ynoxyphenyl)sulfinyl-6-(3,4-dichlorophenyl)hexanoic acid

Systemtic Name: 2-acetamido-2-(4-but-2-ynoxyphenyl)sulfinyl-6-(3,4-dichlorophenyl)hexanoic acid Openeye Name: 2-acetamido-2-(4-but-2-ynoxyphenyl)sulfinyl-6-(3,4-dichlorophenyl)hexanoic acid CAS Name: 2-acetamido-2-(4-but-2-ynoxyphenyl)sulfinyl-6-(3,4-dichlorophenyl)hexanoic acid IUPAC Name: 2-acetamido-2-(4-but-2-ynoxyphenyl)sulfinyl-6-(3,4-dichlorophenyl)hexanoic acid Traditional Name: 2-acetamido-2-(4-but-2-ynoxyphenyl)sulfinyl-6-(3,4-dichlorophenyl)hexanoic acid Formula: C24H25Cl2NO5S MolecularWeight: 510.43

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)C(CCCCC2=CC(=C(C=C2)Cl)Cl)(C(=O)O)NC(=O)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)C(CCCCC2=CC(=C(C=C2)Cl)Cl)(C(=O)O)NC(=O)C

InChI

InChI=1S/C24H25Cl2NO5S/c1-3-4-15-32-19-9-11-20(12-10-19)33(31)24(23(29)30,27-17(2)28)14-6-5-7-18-8-13-21(25)22(26)16-18/h8-13,16H,5-7,14-15H2,1-2H3,(H,27,28)(H,29,30)