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

Systemtic Name: 6-chloranyl-7-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxo-propyl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[3-[4-(2-fluorophenyl)-1-piperazinyl]-3-oxopropyl]sulfonyl-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[3-[4-(2-fluorophenyl)piperazino]-3-keto-propyl]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C21H21ClFN3O5S MolecularWeight: 481.924943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)CCS(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)CCS(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C21H21ClFN3O5S/c22-14-11-16-18(31-13-20(27)24-16)12-19(14)32(29,30)10-5-21(28)26-8-6-25(7-9-26)17-4-2-1-3-15(17)23/h1-4,11-12H,5-10,13H2,(H,24,27)