3,3-dimethyl-4-[3-[(4-methylphenyl)sulfonylamino]propylsulfanyl]butanoic acid

Systemtic Name: 3,3-dimethyl-4-[3-[(4-methylphenyl)sulfonylamino]propylsulfanyl]butanoic acid Openeye Name: 3,3-dimethyl-4-[3-(p-tolylsulfonylamino)propylsulfanyl]butanoic acid CAS Name: 3,3-dimethyl-4-[3-[(4-methylphenyl)sulfonylamino]propylthio]butanoic acid IUPAC Name: 3,3-dimethyl-4-[3-[(4-methylphenyl)sulfonylamino]propylsulfanyl]butanoic acid Traditional Name: 3,3-dimethyl-4-[3-(tosylamino)propylthio]butyric acid Formula: C16H25NO4S2 MolecularWeight: 359.504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCSCC(C)(C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCSCC(C)(C)CC(=O)O

InChI

InChI=1S/C16H25NO4S2/c1-13-5-7-14(8-6-13)23(20,21)17-9-4-10-22-12-16(2,3)11-15(18)19/h5-8,17H,4,9-12H2,1-3H3,(H,18,19)