N-(phenylmethyl)-N-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-(phenylmethyl)-N-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-benzyl-N-[2-(benzylamino)ethyl]isoquinoline-5-sulfonamide CAS Name: N-(phenylmethyl)-N-[2-[(phenylmethyl)amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-benzyl-N-[2-(benzylamino)ethyl]isoquinoline-5-sulfonamide Traditional Name: N-benzyl-N-[2-(benzylamino)ethyl]isoquinoline-5-sulfonamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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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=C4

Isomeric SMILES

C1=CC=C(C=C1)CNCCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H25N3O2S/c29-31(30,25-13-7-12-23-19-26-15-14-24(23)25)28(20-22-10-5-2-6-11-22)17-16-27-18-21-8-3-1-4-9-21/h1-15,19,27H,16-18,20H2