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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O5S/c1-28(24,25)22(16-5-2-4-14(20)12-16)9-3-6-19(23)21-15-7-8-17-18(13-15)27-11-10-26-17/h2,4-5,7-8,12-13H,3,6,9-11H2,1H3,(H,21,23)