N-[3-[2-(4-hydroxyphenyl)ethylamino]-2-oxidanyl-propyl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[3-[2-(4-hydroxyphenyl)ethylamino]-2-oxidanyl-propyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]propyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[2-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]propyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]propyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[2-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]propyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CNCCC1=CC=C(C=C1)O)O)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CN(CC(CNCCC1=CC=C(C=C1)O)O)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H25N3O4S/c1-24(15-19(26)14-23-11-9-16-5-7-18(25)8-6-16)29(27,28)21-4-2-3-17-13-22-12-10-20(17)21/h2-8,10,12-13,19,23,25-26H,9,11,14-15H2,1H3