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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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