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

Systemtic Name: 3-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-phenethyl-propanamide Openeye Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-phenethyl-propanamide CAS Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-phenethylpropanamide IUPAC Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-phenethylpropanamide Traditional Name: 3-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-phenethyl-propionamide Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)CCC(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

C1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)CCC(=O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H19ClN2O5S/c20-14-10-15-16(27-12-19(24)22-15)11-17(14)28(25,26)9-7-18(23)21-8-6-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,21,23)(H,22,24)