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

Systemtic Name: N-(2-azanylethyl)-4-methyl-1-oxidanylidene-N-(2-thiophen-2-ylethyl)-2H-isoquinoline-5-sulfonamide Openeye Name: N-(2-aminoethyl)-4-methyl-1-oxo-N-[2-(2-thienyl)ethyl]-2H-isoquinoline-5-sulfonamide CAS Name: N-(2-aminoethyl)-4-methyl-1-oxo-N-(2-thiophen-2-ylethyl)-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(2-aminoethyl)-4-methyl-1-oxo-N-(2-thiophen-2-ylethyl)-2H-isoquinoline-5-sulfonamide Traditional Name: N-(2-aminoethyl)-1-keto-4-methyl-N-[2-(2-thienyl)ethyl]-2H-isoquinoline-5-sulfonamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S2/c1-13-12-20-18(22)15-5-2-6-16(17(13)15)26(23,24)21(10-8-19)9-7-14-4-3-11-25-14/h2-6,11-12H,7-10,19H2,1H3,(H,20,22)