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

Systemtic Name: 2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide Openeye Name: 2-(3-chloro-N-methylsulfonyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide CAS Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide IUPAC Name: 2-(3-chloro-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide Traditional Name: 2-(3-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(=CC=C3)Cl)S(=O)(=O)C

Isomeric SMILES

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

InChI

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