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

Systemtic Name: 3-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(1-phenylbutan-2-yl)propanamide Openeye Name: N-(1-benzylpropyl)-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-(1-phenylbutan-2-yl)propanamide IUPAC Name: 3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(1-phenylbutan-2-yl)propanamide Traditional Name: N-(1-benzylpropyl)-3-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl]propionamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)NC(=O)CCS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CCC(CC1=CC=CC=C1)NC(=O)CCS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-2-15(10-14-6-4-3-5-7-14)23-20(25)8-9-30(27,28)19-12-18-17(11-16(19)22)24-21(26)13-29-18/h3-7,11-12,15H,2,8-10,13H2,1H3,(H,23,25)(H,24,26)