N-(2-azanylethyl)-4-methyl-1-oxidanylidene-N-[2-(phenylsulfonyl)ethyl]-2H-isoquinoline-5-sulfonamide

Systemtic Name: N-(2-azanylethyl)-4-methyl-1-oxidanylidene-N-[2-(phenylsulfonyl)ethyl]-2H-isoquinoline-5-sulfonamide Openeye Name: N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-4-methyl-1-oxo-2H-isoquinoline-5-sulfonamide CAS Name: N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-4-methyl-1-oxo-2H-isoquinoline-5-sulfonamide IUPAC Name: N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-4-methyl-1-oxo-2H-isoquinoline-5-sulfonamide Traditional Name: N-(2-aminoethyl)-N-(2-besylethyl)-1-keto-4-methyl-2H-isoquinoline-5-sulfonamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N(CCN)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N(CCN)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O5S2/c1-15-14-22-20(24)17-8-5-9-18(19(15)17)30(27,28)23(11-10-21)12-13-29(25,26)16-6-3-2-4-7-16/h2-9,14H,10-13,21H2,1H3,(H,22,24)