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

Systemtic Name: 1-azanyl-N-(2-azanylethyl)-4-methyl-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide Openeye Name: 1-amino-N-(2-aminoethyl)-4-methyl-N-[2-(2-thienyl)ethyl]isoquinoline-5-sulfonamide CAS Name: 1-amino-N-(2-aminoethyl)-4-methyl-N-(2-thiophen-2-ylethyl)-5-isoquinolinesulfonamide IUPAC Name: 1-amino-N-(2-aminoethyl)-4-methyl-N-(2-thiophen-2-ylethyl)isoquinoline-5-sulfonamide Traditional Name: 1-amino-N-(2-aminoethyl)-4-methyl-N-[2-(2-thienyl)ethyl]isoquinoline-5-sulfonamide Formula: C18H22N4O2S2 MolecularWeight: 390.52288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S2/c1-13-12-21-18(20)15-5-2-6-16(17(13)15)26(23,24)22(10-8-19)9-7-14-4-3-11-25-14/h2-6,11-12H,7-10,19H2,1H3,(H2,20,21)