N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-piperonyl-butyramide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC2=C(C=C1)OCO2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NCC1=CC2=C(C=C1)OCO2)N(C3=CC(=C(C=C3)C)C)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-5-18(23(29(4,25)26)17-8-6-14(2)15(3)10-17)21(24)22-12-16-7-9-19-20(11-16)28-13-27-19/h6-11,18H,5,12-13H2,1-4H3,(H,22,24)