6-chloranyl-7-(4-pentanoylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-7-(4-pentanoylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-(4-pentanoylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-(1-oxopentyl)-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-(4-pentanoylpiperazin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-(4-valerylpiperazino)sulfonyl-4H-1,4-benzoxazin-3-one Formula: C17H22ClN3O5S MolecularWeight: 415.89168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CCCCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C17H22ClN3O5S/c1-2-3-4-17(23)20-5-7-21(8-6-20)27(24,25)15-10-14-13(9-12(15)18)19-16(22)11-26-14/h9-10H,2-8,11H2,1H3,(H,19,22)