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

Systemtic Name: N-(3-azanylpropyl)-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide Openeye Name: N-(3-aminopropyl)-N-[2-(2-thienyl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-(3-aminopropyl)-N-(2-thiophen-2-ylethyl)-5-isoquinolinesulfonamide IUPAC Name: N-(3-aminopropyl)-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide Traditional Name: N-(3-aminopropyl)-N-[2-(2-thienyl)ethyl]isoquinoline-5-sulfonamide Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)N(CCCN)CCC3=CC=CS3

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)N(CCCN)CCC3=CC=CS3

InChI

InChI=1S/C18H21N3O2S2/c19-9-3-11-21(12-8-16-5-2-13-24-16)25(22,23)18-6-1-4-15-14-20-10-7-17(15)18/h1-2,4-7,10,13-14H,3,8-9,11-12,19H2