N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]ethanediamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]ethanediamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]oxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]oxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide Traditional Name: N'-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-N-piperonyl-oxamide Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CN=CC=C4)C

InChI

InChI=1S/C25H25N3O6S/c1-16-5-7-20(10-17(16)2)35(31,32)23(19-4-3-9-26-13-19)14-28-25(30)24(29)27-12-18-6-8-21-22(11-18)34-15-33-21/h3-11,13,23H,12,14-15H2,1-2H3,(H,27,29)(H,28,30)