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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClNO4S2/c1-4-24-17(21)14-18(2,3)10-13-25-12-5-11-20-26(22,23)16-8-6-15(19)7-9-16/h6-9,20H,4-5,10-14H2,1-3H3