N-(1,3-benzodioxol-5-ylmethyl)-3-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide Traditional Name: 3-[(3-keto-6-methyl-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-piperonyl-propionamide Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)CCC(=O)NCC3=CC4=C(C=C3)OCO4)OCC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)CCC(=O)NCC3=CC4=C(C=C3)OCO4)OCC(=O)N2

InChI

InChI=1S/C20H20N2O7S/c1-12-6-14-16(27-10-20(24)22-14)8-18(12)30(25,26)5-4-19(23)21-9-13-2-3-15-17(7-13)29-11-28-15/h2-3,6-8H,4-5,9-11H2,1H3,(H,21,23)(H,22,24)