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

Systemtic Name: 3-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-phenethyl-propanamide Openeye Name: 3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-phenethyl-propanamide CAS Name: 3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-phenethylpropanamide IUPAC Name: 3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-phenethylpropanamide Traditional Name: 3-[(3-keto-6-methyl-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-phenethyl-propionamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)CCC(=O)NCCC3=CC=CC=C3)OCC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)CCC(=O)NCCC3=CC=CC=C3)OCC(=O)N2

InChI

InChI=1S/C20H22N2O5S/c1-14-11-16-17(27-13-20(24)22-16)12-18(14)28(25,26)10-8-19(23)21-9-7-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,21,23)(H,22,24)