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

Systemtic Name: 2-[(4-chlorophenyl)-methylsulfonyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 2-(4-chloro-N-methylsulfonyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 2-(4-chloro-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 2-(4-chloro-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 2-(4-chloro-N-mesyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O5S/c1-12(21(27(2,23)24)15-6-3-13(19)4-7-15)18(22)20-14-5-8-16-17(11-14)26-10-9-25-16/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)