2-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-5-methyl-isoindole-1,3-dione

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-5-methyl-isoindole-1,3-dione Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-5-methyl-isoindoline-1,3-dione CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-5-methylisoindole-1,3-dione IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-5-methylisoindole-1,3-dione Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-5-methyl-isoindoline-1,3-quinone Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCS(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCS(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H20N2O4S/c1-14-6-7-17-18(12-14)20(24)22(19(17)23)10-11-27(25,26)21-9-8-15-4-2-3-5-16(15)13-21/h2-7,12H,8-11,13H2,1H3