3-[4-[(4-chlorophenyl)sulfonylamino]butylsulfanyl]-3-methyl-butanoic acid

Systemtic Name: 3-[4-[(4-chlorophenyl)sulfonylamino]butylsulfanyl]-3-methyl-butanoic acid Openeye Name: 3-[4-[(4-chlorophenyl)sulfonylamino]butylsulfanyl]-3-methyl-butanoic acid CAS Name: 3-[4-[(4-chlorophenyl)sulfonylamino]butylthio]-3-methylbutanoic acid IUPAC Name: 3-[4-[(4-chlorophenyl)sulfonylamino]butylsulfanyl]-3-methylbutanoic acid Traditional Name: 3-[4-[(4-chlorophenyl)sulfonylamino]butylthio]-3-methyl-butyric acid Formula: C15H22ClNO4S2 MolecularWeight: 379.92248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClNO4S2/c1-15(2,11-14(18)19)22-10-4-3-9-17-23(20,21)13-7-5-12(16)6-8-13/h5-8,17H,3-4,9-11H2,1-2H3,(H,18,19)