3-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2-phenylpropyl)propanamide

Systemtic Name: 3-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2-phenylpropyl)propanamide Openeye Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2-phenylpropyl)propanamide CAS Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2-phenylpropyl)propanamide IUPAC Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2-phenylpropyl)propanamide Traditional Name: 3-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(2-phenylpropyl)propionamide Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CCS(=O)(=O)C1=C(C=C2C(=C1)OCC(=O)N2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)CCS(=O)(=O)C1=C(C=C2C(=C1)OCC(=O)N2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClN2O5S/c1-13(14-5-3-2-4-6-14)11-22-19(24)7-8-29(26,27)18-10-17-16(9-15(18)21)23-20(25)12-28-17/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,22,24)(H,23,25)