N-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxidanylidene-ethyl)isoquinoline-5-sulfonamide

Systemtic Name: N-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxidanylidene-ethyl)isoquinoline-5-sulfonamide Openeye Name: N-(4-methoxyphenyl)-N-(2-morpholino-2-oxo-ethyl)isoquinoline-5-sulfonamide CAS Name: N-(4-methoxyphenyl)-N-[2-(4-morpholinyl)-2-oxoethyl]-5-isoquinolinesulfonamide IUPAC Name: N-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)isoquinoline-5-sulfonamide Traditional Name: N-(2-keto-2-morpholino-ethyl)-N-(4-methoxyphenyl)isoquinoline-5-sulfonamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)N2CCOCC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H23N3O5S/c1-29-19-7-5-18(6-8-19)25(16-22(26)24-11-13-30-14-12-24)31(27,28)21-4-2-3-17-15-23-10-9-20(17)21/h2-10,15H,11-14,16H2,1H3