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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide Openeye Name: 4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide CAS Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide IUPAC Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide Traditional Name: 4-(3-chloro-N-mesyl-4-methoxy-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butyramide Formula: C20H23ClN2O6S MolecularWeight: 454.92442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H23ClN2O6S/c1-27-17-8-6-15(13-16(17)21)23(30(2,25)26)9-3-4-20(24)22-14-5-7-18-19(12-14)29-11-10-28-18/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,24)