N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-6-[(2-oxidanylideneazepan-3-yl)sulfamoyl]-1H-quinoline-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-6-[(2-oxidanylideneazepan-3-yl)sulfamoyl]-1H-quinoline-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6-[(2-oxoazepan-3-yl)sulfamoyl]-1H-quinoline-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6-[(2-oxo-3-azepanyl)sulfamoyl]-1H-quinoline-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-6-[(2-oxoazepan-3-yl)sulfamoyl]-1H-quinoline-3-carboxamide Traditional Name: N-homoveratryl-4-keto-6-[(2-ketoazepan-3-yl)sulfamoyl]-1H-quinoline-3-carboxamide Formula: C26H30N4O7S MolecularWeight: 542.604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4CCCCNC4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4CCCCNC4=O)OC

InChI

InChI=1S/C26H30N4O7S/c1-36-22-9-6-16(13-23(22)37-2)10-12-28-25(32)19-15-29-20-8-7-17(14-18(20)24(19)31)38(34,35)30-21-5-3-4-11-27-26(21)33/h6-9,13-15,21,30H,3-5,10-12H2,1-2H3,(H,27,33)(H,28,32)(H,29,31)