2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide Openeye Name: 4-methylsulfanyl-2-(p-tolylsulfonylamino)-N-[[4-(3-pyridylmethoxy)phenyl]methyl]butanamide CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-N-[[4-(3-pyridinylmethoxy)phenyl]methyl]butanamide IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]butanamide Traditional Name: 4-(methylthio)-N-[4-(3-pyridylmethoxy)benzyl]-2-(tosylamino)butyramide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CC=C(C=C2)OCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NCC2=CC=C(C=C2)OCC3=CN=CC=C3

InChI

InChI=1S/C25H29N3O4S2/c1-19-5-11-23(12-6-19)34(30,31)28-24(13-15-33-2)25(29)27-17-20-7-9-22(10-8-20)32-18-21-4-3-14-26-16-21/h3-12,14,16,24,28H,13,15,17-18H2,1-2H3,(H,27,29)