1-azanyl-N-(3-azanylpropyl)-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide

Systemtic Name: 1-azanyl-N-(3-azanylpropyl)-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide Openeye Name: 1-amino-N-(3-aminopropyl)-N-[2-(2-thienyl)ethyl]isoquinoline-5-sulfonamide CAS Name: 1-amino-N-(3-aminopropyl)-N-(2-thiophen-2-ylethyl)-5-isoquinolinesulfonamide IUPAC Name: 1-amino-N-(3-aminopropyl)-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide Traditional Name: 1-amino-N-(3-aminopropyl)-N-[2-(2-thienyl)ethyl]isoquinoline-5-sulfonamide Formula: C18H22N4O2S2 MolecularWeight: 390.52288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2N)C(=C1)S(=O)(=O)N(CCCN)CCC3=CC=CS3

Isomeric SMILES

C1=CC2=C(C=CN=C2N)C(=C1)S(=O)(=O)N(CCCN)CCC3=CC=CS3

InChI

InChI=1S/C18H22N4O2S2/c19-9-3-11-22(12-8-14-4-2-13-25-14)26(23,24)17-6-1-5-16-15(17)7-10-21-18(16)20/h1-2,4-7,10,13H,3,8-9,11-12,19H2,(H2,20,21)