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

Systemtic Name: N-(2-azanylethyl)-4-methyl-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide Openeye Name: N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-4-methyl-isoquinoline-5-sulfonamide CAS Name: N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-4-methyl-5-isoquinolinesulfonamide IUPAC Name: N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-4-methylisoquinoline-5-sulfonamide Traditional Name: N-(2-aminoethyl)-N-(2-besylethyl)-4-methyl-isoquinoline-5-sulfonamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N(CCN)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N(CCN)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4S2/c1-16-14-22-15-17-6-5-9-19(20(16)17)29(26,27)23(11-10-21)12-13-28(24,25)18-7-3-2-4-8-18/h2-9,14-15H,10-13,21H2,1H3