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

Systemtic Name: 1-azanyl-N-(2-azanylethyl)-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide Openeye Name: 1-amino-N-(2-aminoethyl)-N-[2-(2-thienyl)ethyl]isoquinoline-5-sulfonamide CAS Name: 1-amino-N-(2-aminoethyl)-N-(2-thiophen-2-ylethyl)-5-isoquinolinesulfonamide IUPAC Name: 1-amino-N-(2-aminoethyl)-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide Traditional Name: 1-amino-N-(2-aminoethyl)-N-[2-(2-thienyl)ethyl]isoquinoline-5-sulfonamide Formula: C17H20N4O2S2 MolecularWeight: 376.4963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2S2/c18-8-11-21(10-7-13-3-2-12-24-13)25(22,23)16-5-1-4-15-14(16)6-9-20-17(15)19/h1-6,9,12H,7-8,10-11,18H2,(H2,19,20)