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

Systemtic Name: N-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-(benzylamino)ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[(phenylmethyl)amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-(benzylamino)ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-(benzylamino)ethyl]isoquinoline-5-sulfonamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H19N3O2S/c22-24(23,18-8-4-7-16-14-19-10-9-17(16)18)21-12-11-20-13-15-5-2-1-3-6-15/h1-10,14,20-21H,11-13H2