1-azanyl-N-(3-azanylpropyl)-4-methyl-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide

Systemtic Name: 1-azanyl-N-(3-azanylpropyl)-4-methyl-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide Openeye Name: 1-amino-N-(3-aminopropyl)-4-methyl-N-[2-(2-thienyl)ethyl]isoquinoline-5-sulfonamide CAS Name: 1-amino-N-(3-aminopropyl)-4-methyl-N-(2-thiophen-2-ylethyl)-5-isoquinolinesulfonamide IUPAC Name: 1-amino-N-(3-aminopropyl)-4-methyl-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide Traditional Name: 1-amino-N-(3-aminopropyl)-4-methyl-N-[2-(2-thienyl)ethyl]isoquinoline-5-sulfonamide Formula: C19H24N4O2S2 MolecularWeight: 404.54946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C2=C1C(=CC=C2)S(=O)(=O)N(CCCN)CCC3=CC=CS3)N

Isomeric SMILES

CC1=CN=C(C2=C1C(=CC=C2)S(=O)(=O)N(CCCN)CCC3=CC=CS3)N

InChI

InChI=1S/C19H24N4O2S2/c1-14-13-22-19(21)16-6-2-7-17(18(14)16)27(24,25)23(10-4-9-20)11-8-15-5-3-12-26-15/h2-3,5-7,12-13H,4,8-11,20H2,1H3,(H2,21,22)