6-chloranyl-7-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-chloranyl-7-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-chloro-7-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-chloro-7-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-7-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C18H16ClF3N4O4S MolecularWeight: 476.85725

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl

InChI

InChI=1S/C18H16ClF3N4O4S/c19-12-7-13-14(30-10-17(27)24-13)8-15(12)31(28,29)26-5-3-25(4-6-26)16-2-1-11(9-23-16)18(20,21)22/h1-2,7-9H,3-6,10H2,(H,24,27)