2-[[2-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindoline-1,3-quinone Formula: C27H21ClN2O4S2 MolecularWeight: 537.04964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3CN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3CN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C27H21ClN2O4S2/c1-16-22-14-18(28)10-11-24(22)35-27(16)36(33,34)30-13-12-17-6-2-3-7-19(17)23(30)15-29-25(31)20-8-4-5-9-21(20)26(29)32/h2-11,14,23H,12-13,15H2,1H3