4-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

Systemtic Name: 4-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide Openeye Name: 4-(4-chloro-N-methylsulfonyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide CAS Name: 4-(4-chloro-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide IUPAC Name: 4-(4-chloro-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide Traditional Name: 4-(4-chloro-N-mesyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butyramide Formula: C19H21ClN2O5S MolecularWeight: 424.89844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NC1=CC2=C(C=C1)OCCO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC1=CC2=C(C=C1)OCCO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2O5S/c1-28(24,25)22(16-7-4-14(20)5-8-16)10-2-3-19(23)21-15-6-9-17-18(13-15)27-12-11-26-17/h4-9,13H,2-3,10-12H2,1H3,(H,21,23)