N5-pentyl-N5-[6-[(phenylmethyl)amino]hexyl]isoquinoline-1,5-disulfonamide

Systemtic Name: N5-pentyl-N5-[6-[(phenylmethyl)amino]hexyl]isoquinoline-1,5-disulfonamide Openeye Name: N5-[6-(benzylamino)hexyl]-N5-pentyl-isoquinoline-1,5-disulfonamide CAS Name: N5-pentyl-N5-[6-[(phenylmethyl)amino]hexyl]isoquinoline-1,5-disulfonamide IUPAC Name: 5-N-[6-(benzylamino)hexyl]-5-N-pentylisoquinoline-1,5-disulfonamide Traditional Name: N'-amyl-N'-[6-(benzylamino)hexyl]isoquinoline-1,5-disulfonamide Formula: C27H38N4O4S2 MolecularWeight: 546.74502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCCCNCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3S(=O)(=O)N

Isomeric SMILES

CCCCCN(CCCCCCNCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3S(=O)(=O)N

InChI

InChI=1S/C27H38N4O4S2/c1-2-3-10-20-31(21-11-5-4-9-18-29-22-23-13-7-6-8-14-23)37(34,35)26-16-12-15-25-24(26)17-19-30-27(25)36(28,32)33/h6-8,12-17,19,29H,2-5,9-11,18,20-22H2,1H3,(H2,28,32,33)