N-(1,3-benzodioxol-5-yl)-4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(3-chloro-N-mesyl-4-methoxy-anilino)butyramide Formula: C19H21ClN2O6S MolecularWeight: 440.89784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H21ClN2O6S/c1-26-16-8-6-14(11-15(16)20)22(29(2,24)25)9-3-4-19(23)21-13-5-7-17-18(10-13)28-12-27-17/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,21,23)