N-hexyl-N-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-hexyl-N-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-(benzylamino)ethyl]-N-hexyl-isoquinoline-5-sulfonamide CAS Name: N-hexyl-N-[2-[(phenylmethyl)amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-(benzylamino)ethyl]-N-hexylisoquinoline-5-sulfonamide Traditional Name: N-[2-(benzylamino)ethyl]-N-hexyl-isoquinoline-5-sulfonamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCNCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCCCN(CCNCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C24H31N3O2S/c1-2-3-4-8-17-27(18-16-26-19-21-10-6-5-7-11-21)30(28,29)24-13-9-12-22-20-25-15-14-23(22)24/h5-7,9-15,20,26H,2-4,8,16-19H2,1H3