N-[2-[2-[(3-methylphenyl)methoxy]ethylamino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[2-[(3-methylphenyl)methoxy]ethylamino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[2-(m-tolylmethoxy)ethylamino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[2-[(3-methylphenyl)methoxy]ethylamino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[2-[(3-methylphenyl)methoxy]ethylamino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[2-(3-methylbenzyl)oxyethylamino]ethyl]isoquinoline-5-sulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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