2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(4-phenylbutyl)butanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(4-phenylbutyl)butanamide Openeye Name: 4-methylsulfanyl-N-(4-phenylbutyl)-2-(p-tolylsulfonylamino)butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-(4-phenylbutyl)butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(4-phenylbutyl)butanamide Traditional Name: 4-(methylthio)-N-(4-phenylbutyl)-2-(tosylamino)butyramide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C22H30N2O3S2/c1-18-11-13-20(14-12-18)29(26,27)24-21(15-17-28-2)22(25)23-16-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,11-14,21,24H,6-7,10,15-17H2,1-2H3,(H,23,25)