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

Systemtic Name: N-[3-[2-(4-methoxyphenyl)ethylamino]-2-oxidanyl-propyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]propyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]propyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]propyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]propyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-25(30(27,28)22-5-3-4-18-14-23-13-11-21(18)22)16-19(26)15-24-12-10-17-6-8-20(29-2)9-7-17/h3-9,11,13-14,19,24,26H,10,12,15-16H2,1-2H3