2-[5-[(4-chlorophenyl)sulfonylamino]pentylsulfanyl]-2-methyl-propanoic acid

Systemtic Name: 2-[5-[(4-chlorophenyl)sulfonylamino]pentylsulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[5-[(4-chlorophenyl)sulfonylamino]pentylsulfanyl]-2-methyl-propanoic acid CAS Name: 2-[5-[(4-chlorophenyl)sulfonylamino]pentylthio]-2-methylpropanoic acid IUPAC Name: 2-[5-[(4-chlorophenyl)sulfonylamino]pentylsulfanyl]-2-methylpropanoic acid Traditional Name: 2-[5-[(4-chlorophenyl)sulfonylamino]pentylthio]-2-methyl-propionic acid Formula: C15H22ClNO4S2 MolecularWeight: 379.92248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SCCCCCNS(=O)(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(C(=O)O)SCCCCCNS(=O)(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C15H22ClNO4S2/c1-15(2,14(18)19)22-11-5-3-4-10-17-23(20,21)13-8-6-12(16)7-9-13/h6-9,17H,3-5,10-11H2,1-2H3,(H,18,19)