4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(mesyl)amino]-N-mesityl-butyramide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)C

InChI

InChI=1S/C21H26N2O5S/c1-14-10-15(2)21(16(3)11-14)22-20(24)6-5-9-23(29(4,25)26)17-7-8-18-19(12-17)28-13-27-18/h7-8,10-12H,5-6,9,13H2,1-4H3,(H,22,24)