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

Systemtic Name: N-(3-azanylpropyl)-1-oxidanylidene-N-(2-thiophen-2-ylethyl)-2H-isoquinoline-5-sulfonamide Openeye Name: N-(3-aminopropyl)-1-oxo-N-[2-(2-thienyl)ethyl]-2H-isoquinoline-5-sulfonamide CAS Name: N-(3-aminopropyl)-1-oxo-N-(2-thiophen-2-ylethyl)-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(3-aminopropyl)-1-oxo-N-(2-thiophen-2-ylethyl)-2H-isoquinoline-5-sulfonamide Traditional Name: N-(3-aminopropyl)-1-keto-N-[2-(2-thienyl)ethyl]-2H-isoquinoline-5-sulfonamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CNC2=O)C(=C1)S(=O)(=O)N(CCCN)CCC3=CC=CS3

Isomeric SMILES

C1=CC2=C(C=CNC2=O)C(=C1)S(=O)(=O)N(CCCN)CCC3=CC=CS3

InChI

InChI=1S/C18H21N3O3S2/c19-9-3-11-21(12-8-14-4-2-13-25-14)26(23,24)17-6-1-5-16-15(17)7-10-20-18(16)22/h1-2,4-7,10,13H,3,8-9,11-12,19H2,(H,20,22)