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

Systemtic Name: N-(3-azanylpropyl)-4-methyl-1-oxidanylidene-N-(2-thiophen-2-ylethyl)-2H-isoquinoline-5-sulfonamide Openeye Name: N-(3-aminopropyl)-4-methyl-1-oxo-N-[2-(2-thienyl)ethyl]-2H-isoquinoline-5-sulfonamide CAS Name: N-(3-aminopropyl)-4-methyl-1-oxo-N-(2-thiophen-2-ylethyl)-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(3-aminopropyl)-4-methyl-1-oxo-N-(2-thiophen-2-ylethyl)-2H-isoquinoline-5-sulfonamide Traditional Name: N-(3-aminopropyl)-1-keto-4-methyl-N-[2-(2-thienyl)ethyl]-2H-isoquinoline-5-sulfonamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S2/c1-14-13-21-19(23)16-6-2-7-17(18(14)16)27(24,25)22(10-4-9-20)11-8-15-5-3-12-26-15/h2-3,5-7,12-13H,4,8-11,20H2,1H3,(H,21,23)