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

Systemtic Name: 3-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide CAS Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide Traditional Name: N-benzyl-3-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl]propionamide Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)CCC(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

C1C(=O)NC2=CC(=C(C=C2O1)S(=O)(=O)CCC(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H17ClN2O5S/c19-13-8-14-15(26-11-18(23)21-14)9-16(13)27(24,25)7-6-17(22)20-10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2,(H,20,22)(H,21,23)