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

Systemtic Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)ethyl]butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(p-tolyl)ethyl]butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)ethyl]butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)ethyl]butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(mesyl)amino]-N-[1-(p-tolyl)ethyl]butyramide Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15-6-8-17(9-7-15)16(2)22-21(24)5-4-12-23(29(3,25)26)18-10-11-19-20(13-18)28-14-27-19/h6-11,13,16H,4-5,12,14H2,1-3H3,(H,22,24)