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

Systemtic Name: N5-(phenylmethyl)-N5-[2-[(phenylmethyl)amino]ethyl]isoquinoline-1,5-disulfonamide Openeye Name: N5-benzyl-N5-[2-(benzylamino)ethyl]isoquinoline-1,5-disulfonamide CAS Name: N5-(phenylmethyl)-N5-[2-[(phenylmethyl)amino]ethyl]isoquinoline-1,5-disulfonamide IUPAC Name: 5-N-benzyl-5-N-[2-(benzylamino)ethyl]isoquinoline-1,5-disulfonamide Traditional Name: N'-benzyl-N'-[2-(benzylamino)ethyl]isoquinoline-1,5-disulfonamide Formula: C25H26N4O4S2 MolecularWeight: 510.62834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CNCCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4S(=O)(=O)N

InChI

InChI=1S/C25H26N4O4S2/c26-34(30,31)25-23-12-7-13-24(22(23)14-15-28-25)35(32,33)29(19-21-10-5-2-6-11-21)17-16-27-18-20-8-3-1-4-9-20/h1-15,27H,16-19H2,(H2,26,30,31)