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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl-(4-phenoxyphenyl)amino]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonyl-4-phenoxy-anilino)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(N-mesyl-4-phenoxy-anilino)propionamide Formula: C23H22N2O6S MolecularWeight: 454.49558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)N(C3=CC=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)N(C3=CC=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C23H22N2O6S/c1-16(23(26)24-17-8-13-21-22(14-17)30-15-29-21)25(32(2,27)28)18-9-11-20(12-10-18)31-19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3,(H,24,26)