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

Systemtic Name: 6-methyl-7-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-methyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-methyl-7-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]sulfonyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-methyl-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 7-[3-keto-3-(4-phenylpiperazino)propyl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4)OCC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4)OCC(=O)N2

InChI

InChI=1S/C22H25N3O5S/c1-16-13-18-19(30-15-21(26)23-18)14-20(16)31(28,29)12-7-22(27)25-10-8-24(9-11-25)17-5-3-2-4-6-17/h2-6,13-14H,7-12,15H2,1H3,(H,23,26)