N-(3-azanylpropyl)-1-oxidanylidene-N-[2-(phenylsulfonyl)ethyl]-2H-isoquinoline-5-sulfonamide

Systemtic Name: N-(3-azanylpropyl)-1-oxidanylidene-N-[2-(phenylsulfonyl)ethyl]-2H-isoquinoline-5-sulfonamide Openeye Name: N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide CAS Name: N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(3-aminopropyl)-N-[2-(benzenesulfonyl)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide Traditional Name: N-(3-aminopropyl)-N-(2-besylethyl)-1-keto-2H-isoquinoline-5-sulfonamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S2/c21-11-5-13-23(14-15-29(25,26)16-6-2-1-3-7-16)30(27,28)19-9-4-8-18-17(19)10-12-22-20(18)24/h1-4,6-10,12H,5,11,13-15,21H2,(H,22,24)