N-(4-fluorophenyl)-1-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(4-fluorophenyl)-1-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide Openeye Name: N-(4-fluorophenyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide CAS Name: N-(4-fluorophenyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(4-fluorophenyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-fluorophenyl)-1-[(3-keto-6-methyl-4H-1,4-benzoxazin-7-yl)sulfonyl]isonipecotamide Formula: C21H22FN3O5S MolecularWeight: 447.479883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)F)OCC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)F)OCC(=O)N2

InChI

InChI=1S/C21H22FN3O5S/c1-13-10-17-18(30-12-20(26)24-17)11-19(13)31(28,29)25-8-6-14(7-9-25)21(27)23-16-4-2-15(22)3-5-16/h2-5,10-11,14H,6-9,12H2,1H3,(H,23,27)(H,24,26)