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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanamide Traditional Name: 4-(3-chloro-N-mesyl-4-methoxy-anilino)-N-piperonyl-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)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)Cl

InChI

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