N-[2-[2-[(4-methylphenyl)methoxy]ethylamino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[2-[(4-methylphenyl)methoxy]ethylamino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[2-(p-tolylmethoxy)ethylamino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[2-[(4-methylphenyl)methoxy]ethylamino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[2-[(4-methylphenyl)methoxy]ethylamino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[2-(4-methylbenzyl)oxyethylamino]ethyl]isoquinoline-5-sulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COCCNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)COCCNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H25N3O3S/c1-17-5-7-18(8-6-17)16-27-14-13-22-11-12-24-28(25,26)21-4-2-3-19-15-23-10-9-20(19)21/h2-10,15,22,24H,11-14,16H2,1H3