2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(4-prop-2-enoxyphenyl)butanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(4-prop-2-enoxyphenyl)butanamide Openeye Name: N-(4-allyloxyphenyl)-2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-prop-2-enoxyphenyl)butanamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-prop-2-enoxyphenyl)butanamide Traditional Name: N-(4-allyloxyphenyl)-2-(N-mesyl-3,4-dimethyl-anilino)butyramide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OCC=C)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OCC=C)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O4S/c1-6-14-28-20-12-9-18(10-13-20)23-22(25)21(7-2)24(29(5,26)27)19-11-8-16(3)17(4)15-19/h6,8-13,15,21H,1,7,14H2,2-5H3,(H,23,25)