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

Systemtic Name: 6-chloranyl-7-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-[2-(4-methylphenoxy)-1-oxopropyl]-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[4-[2-(4-methylphenoxy)propanoyl]piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C22H24ClN3O6S MolecularWeight: 493.96046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C22H24ClN3O6S/c1-14-3-5-16(6-4-14)32-15(2)22(28)25-7-9-26(10-8-25)33(29,30)20-12-19-18(11-17(20)23)24-21(27)13-31-19/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,24,27)