3-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]propyl-cyclohexyl-methyl-azanium

Systemtic Name: 3-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]propyl-cyclohexyl-methyl-azanium Openeye Name: 3-[[4-[(2-chloro-6-fluoro-phenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]propyl-cyclohexyl-methyl-ammonium CAS Name: 3-[[[4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-oxomethyl]amino]propyl-cyclohexyl-methylammonium IUPAC Name: 3-[[4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]propyl-cyclohexyl-methylazanium Traditional Name: 3-[[4-(2-chloro-6-fluoro-benzyl)-3-keto-1,4-benzothiazine-6-carbonyl]amino]propyl-cyclohexyl-methyl-ammonium Formula: C26H32ClFN3O2S+ MolecularWeight: 505.067583

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=CC=C3Cl)F)C4CCCCC4

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=CC=C3Cl)F)C4CCCCC4

InChI

InChI=1S/C26H31ClFN3O2S/c1-30(19-7-3-2-4-8-19)14-6-13-29-26(33)18-11-12-24-23(15-18)31(25(32)17-34-24)16-20-21(27)9-5-10-22(20)28/h5,9-12,15,19H,2-4,6-8,13-14,16-17H2,1H3,(H,29,33)/p+1