N-pentyl-N-[6-[(phenylmethyl)amino]hexyl]isoquinoline-5-sulfonamide

Systemtic Name: N-pentyl-N-[6-[(phenylmethyl)amino]hexyl]isoquinoline-5-sulfonamide Openeye Name: N-[6-(benzylamino)hexyl]-N-pentyl-isoquinoline-5-sulfonamide CAS Name: N-pentyl-N-[6-[(phenylmethyl)amino]hexyl]-5-isoquinolinesulfonamide IUPAC Name: N-[6-(benzylamino)hexyl]-N-pentylisoquinoline-5-sulfonamide Traditional Name: N-amyl-N-[6-(benzylamino)hexyl]isoquinoline-5-sulfonamide Formula: C27H37N3O2S MolecularWeight: 467.66658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCCCNCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCCCN(CCCCCCNCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C27H37N3O2S/c1-2-3-10-20-30(21-11-5-4-9-18-28-22-24-13-7-6-8-14-24)33(31,32)27-16-12-15-25-23-29-19-17-26(25)27/h6-8,12-17,19,23,28H,2-5,9-11,18,20-22H2,1H3