N-(2-iodanylphenyl)-4-[methyl-(4-methylphenyl)sulfonyl-amino]butanamide

Systemtic Name: N-(2-iodanylphenyl)-4-[methyl-(4-methylphenyl)sulfonyl-amino]butanamide Openeye Name: N-(2-iodophenyl)-4-[methyl(p-tolylsulfonyl)amino]butanamide CAS Name: N-(2-iodophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: N-(2-iodophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide Traditional Name: N-(2-iodophenyl)-4-[methyl(tosyl)amino]butyramide Formula: C18H21IN2O3S MolecularWeight: 472.34041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=CC=CC=C2I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=CC=CC=C2I

InChI

InChI=1S/C18H21IN2O3S/c1-14-9-11-15(12-10-14)25(23,24)21(2)13-5-8-18(22)20-17-7-4-3-6-16(17)19/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,20,22)