ethyl 5-[3-[(4-chlorophenyl)sulfonylamino]propylsulfanyl]-2,2-dimethyl-pentanoate

Systemtic Name: ethyl 5-[3-[(4-chlorophenyl)sulfonylamino]propylsulfanyl]-2,2-dimethyl-pentanoate Openeye Name: ethyl 5-[3-[(4-chlorophenyl)sulfonylamino]propylsulfanyl]-2,2-dimethyl-pentanoate CAS Name: 5-[3-[(4-chlorophenyl)sulfonylamino]propylthio]-2,2-dimethylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[3-[(4-chlorophenyl)sulfonylamino]propylsulfanyl]-2,2-dimethylpentanoate Traditional Name: 5-[3-[(4-chlorophenyl)sulfonylamino]propylthio]-2,2-dimethyl-valeric acid ethyl ester Formula: C18H28ClNO4S2 MolecularWeight: 422.00222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCSCCCNS(=O)(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CCOC(=O)C(C)(C)CCCSCCCNS(=O)(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C18H28ClNO4S2/c1-4-24-17(21)18(2,3)11-5-13-25-14-6-12-20-26(22,23)16-9-7-15(19)8-10-16/h7-10,20H,4-6,11-14H2,1-3H3