N-(1,3-benzodioxol-5-yl)-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(N-mesyl-2,5-dimethyl-anilino)butyramide Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CCCC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O5S/c1-14-6-7-15(2)17(11-14)22(28(3,24)25)10-4-5-20(23)21-16-8-9-18-19(12-16)27-13-26-18/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,21,23)