6-[[[4-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]cyclohexyl]amino]methyl]-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[[[4-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]cyclohexyl]amino]methyl]-4H-1,4-benzothiazin-3-one Openeye Name: 6-[[[4-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]cyclohexyl]amino]methyl]-4H-1,4-benzothiazin-3-one CAS Name: 6-[[[4-[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]cyclohexyl]amino]methyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[[[4-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]amino]methyl]-4H-1,4-benzothiazin-3-one Traditional Name: 6-[[[4-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]cyclohexyl]amino]methyl]-4H-1,4-benzothiazin-3-one Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CC3CCC(CC3)NCC4=CC5=C(C=C4)SCC(=O)N5)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CC3CCC(CC3)NCC4=CC5=C(C=C4)SCC(=O)N5)O

InChI

InChI=1S/C27H31N3O3S/c1-33-20-7-8-23-22(14-20)21(10-11-28-23)25(31)13-17-2-5-19(6-3-17)29-15-18-4-9-26-24(12-18)30-27(32)16-34-26/h4,7-12,14,17,19,25,29,31H,2-3,5-6,13,15-16H2,1H3,(H,30,32)