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

Systemtic Name: 6-chloranyl-7-[4-[3-(4-methylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[4-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-[2-hydroxy-3-(4-methylphenoxy)propyl]-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[4-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C22H26ClN3O6S MolecularWeight: 495.97634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl)O

InChI

InChI=1S/C22H26ClN3O6S/c1-15-2-4-17(5-3-15)31-13-16(27)12-25-6-8-26(9-7-25)33(29,30)21-11-20-19(10-18(21)23)24-22(28)14-32-20/h2-5,10-11,16,27H,6-9,12-14H2,1H3,(H,24,28)