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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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