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

Systemtic Name: N5-[2-(dihexylamino)ethyl]-N5-(phenylmethyl)isoquinoline-1,5-disulfonamide Openeye Name: N5-benzyl-N5-[2-(dihexylamino)ethyl]isoquinoline-1,5-disulfonamide CAS Name: N5-[2-(dihexylamino)ethyl]-N5-(phenylmethyl)isoquinoline-1,5-disulfonamide IUPAC Name: 5-N-benzyl-5-N-[2-(dihexylamino)ethyl]isoquinoline-1,5-disulfonamide Traditional Name: N'-benzyl-N'-[2-(dihexylamino)ethyl]isoquinoline-1,5-disulfonamide Formula: C30H44N4O4S2 MolecularWeight: 588.82476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3S(=O)(=O)N

Isomeric SMILES

CCCCCCN(CCCCCC)CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3S(=O)(=O)N

InChI

InChI=1S/C30H44N4O4S2/c1-3-5-7-12-21-33(22-13-8-6-4-2)23-24-34(25-26-15-10-9-11-16-26)40(37,38)29-18-14-17-28-27(29)19-20-32-30(28)39(31,35)36/h9-11,14-20H,3-8,12-13,21-25H2,1-2H3,(H2,31,35,36)