2-(3-methoxyphenyl)-1-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]isoquinoline-4-carboxamide

Systemtic Name: 2-(3-methoxyphenyl)-1-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]isoquinoline-4-carboxamide Openeye Name: 2-(3-methoxyphenyl)-1-oxo-N-[2-(4-sulfamoylphenyl)ethyl]isoquinoline-4-carboxamide CAS Name: 2-(3-methoxyphenyl)-1-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-4-isoquinolinecarboxamide IUPAC Name: 2-(3-methoxyphenyl)-1-oxo-N-[2-(4-sulfamoylphenyl)ethyl]isoquinoline-4-carboxamide Traditional Name: 1-keto-2-(3-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]isoquinoline-4-carboxamide Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C25H23N3O5S/c1-33-19-6-4-5-18(15-19)28-16-23(21-7-2-3-8-22(21)25(28)30)24(29)27-14-13-17-9-11-20(12-10-17)34(26,31)32/h2-12,15-16H,13-14H2,1H3,(H,27,29)(H2,26,31,32)