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

Systemtic Name: 6-chloranyl-7-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]sulfonyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[3-keto-3-(4-phenylpiperazino)propyl]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCS(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCS(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C21H22ClN3O5S/c22-16-12-17-18(30-14-20(26)23-17)13-19(16)31(28,29)11-6-21(27)25-9-7-24(8-10-25)15-4-2-1-3-5-15/h1-5,12-13H,6-11,14H2,(H,23,26)