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

Systemtic Name: N-(2-azanylethyl)-1-oxidanylidene-N-(2-thiophen-2-ylethyl)-2H-isoquinoline-5-sulfonamide Openeye Name: N-(2-aminoethyl)-1-oxo-N-[2-(2-thienyl)ethyl]-2H-isoquinoline-5-sulfonamide CAS Name: N-(2-aminoethyl)-1-oxo-N-(2-thiophen-2-ylethyl)-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(2-aminoethyl)-1-oxo-N-(2-thiophen-2-ylethyl)-2H-isoquinoline-5-sulfonamide Traditional Name: N-(2-aminoethyl)-1-keto-N-[2-(2-thienyl)ethyl]-2H-isoquinoline-5-sulfonamide Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S2/c18-8-11-20(10-7-13-3-2-12-24-13)25(22,23)16-5-1-4-15-14(16)6-9-19-17(15)21/h1-6,9,12H,7-8,10-11,18H2,(H,19,21)