N-(2-azanylethyl)-1-oxidanylidene-N-[2-(phenylsulfonyl)ethyl]-2H-isoquinoline-5-sulfonamide

Systemtic Name: N-(2-azanylethyl)-1-oxidanylidene-N-[2-(phenylsulfonyl)ethyl]-2H-isoquinoline-5-sulfonamide Openeye Name: N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide CAS Name: N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide Traditional Name: N-(2-aminoethyl)-N-(2-besylethyl)-1-keto-2H-isoquinoline-5-sulfonamide Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCN(CCN)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCN(CCN)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

InChI

InChI=1S/C19H21N3O5S2/c20-10-12-22(13-14-28(24,25)15-5-2-1-3-6-15)29(26,27)18-8-4-7-17-16(18)9-11-21-19(17)23/h1-9,11H,10,12-14,20H2,(H,21,23)