N5-hexyl-N5-[2-[(phenylmethyl)amino]ethyl]isoquinoline-1,5-disulfonamide

Systemtic Name: N5-hexyl-N5-[2-[(phenylmethyl)amino]ethyl]isoquinoline-1,5-disulfonamide Openeye Name: N5-[2-(benzylamino)ethyl]-N5-hexyl-isoquinoline-1,5-disulfonamide CAS Name: N5-hexyl-N5-[2-[(phenylmethyl)amino]ethyl]isoquinoline-1,5-disulfonamide IUPAC Name: 5-N-[2-(benzylamino)ethyl]-5-N-hexylisoquinoline-1,5-disulfonamide Traditional Name: N'-[2-(benzylamino)ethyl]-N'-hexyl-isoquinoline-1,5-disulfonamide Formula: C24H32N4O4S2 MolecularWeight: 504.66528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCNCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3S(=O)(=O)N

Isomeric SMILES

CCCCCCN(CCNCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3S(=O)(=O)N

InChI

InChI=1S/C24H32N4O4S2/c1-2-3-4-8-17-28(18-16-26-19-20-10-6-5-7-11-20)34(31,32)23-13-9-12-22-21(23)14-15-27-24(22)33(25,29)30/h5-7,9-15,26H,2-4,8,16-19H2,1H3,(H2,25,29,30)