6-chloranyl-7-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfonyl-4H-1,4-benzoxazin-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C22H24ClN3O6S/c1-31-16-4-2-15(3-5-16)25-7-9-26(10-8-25)22(28)6-11-33(29,30)20-13-19-18(12-17(20)23)24-21(27)14-32-19/h2-5,12-13H,6-11,14H2,1H3,(H,24,27)