N-(1,3-benzodioxol-5-ylmethyl)-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(m-tolylsulfinylmethyl)furan-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(3-methylphenyl)sulfinylmethyl]-2-furancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide Traditional Name: 5-(m-tolylsulfinylmethyl)-N-piperonyl-2-furamide Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)CC2=CC=C(O2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)CC2=CC=C(O2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19NO5S/c1-14-3-2-4-17(9-14)28(24)12-16-6-8-19(27-16)21(23)22-11-15-5-7-18-20(10-15)26-13-25-18/h2-10H,11-13H2,1H3,(H,22,23)