N-(3-iodanylphenyl)-4-[methyl-(4-methylphenyl)sulfonyl-amino]butanamide

Systemtic Name: N-(3-iodanylphenyl)-4-[methyl-(4-methylphenyl)sulfonyl-amino]butanamide Openeye Name: N-(3-iodophenyl)-4-[methyl(p-tolylsulfonyl)amino]butanamide CAS Name: N-(3-iodophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: N-(3-iodophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide Traditional Name: N-(3-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=C2)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=CC(=CC=C2)I

InChI

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