7-[4-(2-butylsulfanylethanoyl)piperazin-1-yl]sulfonyl-6-chloranyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-[4-(2-butylsulfanylethanoyl)piperazin-1-yl]sulfonyl-6-chloranyl-4H-1,4-benzoxazin-3-one Openeye Name: 7-[4-(2-butylsulfanylacetyl)piperazin-1-yl]sulfonyl-6-chloro-4H-1,4-benzoxazin-3-one CAS Name: 7-[[4-[2-(butylthio)-1-oxoethyl]-1-piperazinyl]sulfonyl]-6-chloro-4H-1,4-benzoxazin-3-one IUPAC Name: 7-[4-(2-butylsulfanylacetyl)piperazin-1-yl]sulfonyl-6-chloro-4H-1,4-benzoxazin-3-one Traditional Name: 7-[4-[2-(butylthio)acetyl]piperazino]sulfonyl-6-chloro-4H-1,4-benzoxazin-3-one Formula: C18H24ClN3O5S2 MolecularWeight: 461.98326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3O5S2/c1-2-3-8-28-12-18(24)21-4-6-22(7-5-21)29(25,26)16-10-15-14(9-13(16)19)20-17(23)11-27-15/h9-10H,2-8,11-12H2,1H3,(H,20,23)