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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,5-dimethyl-N-methylsulfonyl-anilino)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide Traditional Name: 2-(N-mesyl-3,5-dimethyl-anilino)-N-piperonyl-propionamide Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C(C)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C(C)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C)C

InChI

InChI=1S/C20H24N2O5S/c1-13-7-14(2)9-17(8-13)22(28(4,24)25)15(3)20(23)21-11-16-5-6-18-19(10-16)27-12-26-18/h5-10,15H,11-12H2,1-4H3,(H,21,23)