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

Systemtic Name: 7-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one Openeye Name: 7-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxo-propyl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one CAS Name: 7-[3-[4-(3-chlorophenyl)-1-piperazinyl]-3-oxopropyl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: 7-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one Traditional Name: 7-[3-[4-(3-chlorophenyl)piperazino]-3-keto-propyl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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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)Cl)OCC(=O)N2

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O5S/c1-15-11-18-19(31-14-21(27)24-18)13-20(15)32(29,30)10-5-22(28)26-8-6-25(7-9-26)17-4-2-3-16(23)12-17/h2-4,11-13H,5-10,14H2,1H3,(H,24,27)