3-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(4-ethoxy-3-methoxy-phenyl)methyl]propanamide

Systemtic Name: 3-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(4-ethoxy-3-methoxy-phenyl)methyl]propanamide Openeye Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(4-ethoxy-3-methoxy-phenyl)methyl]propanamide CAS Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide IUPAC Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide Traditional Name: 3-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-ethoxy-3-methoxy-benzyl)propionamide Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)CCS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)CCS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl)OC

InChI

InChI=1S/C21H23ClN2O7S/c1-3-30-16-5-4-13(8-18(16)29-2)11-23-20(25)6-7-32(27,28)19-10-17-15(9-14(19)22)24-21(26)12-31-17/h4-5,8-10H,3,6-7,11-12H2,1-2H3,(H,23,25)(H,24,26)