N-[4-(7-chloranyl-3,4-dihydroisoquinolin-1-yl)-2-methoxy-phenyl]-3-(phenylsulfonyl)thiophene-2-sulfonamide

Systemtic Name: N-[4-(7-chloranyl-3,4-dihydroisoquinolin-1-yl)-2-methoxy-phenyl]-3-(phenylsulfonyl)thiophene-2-sulfonamide Openeye Name: 3-(benzenesulfonyl)-N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-2-methoxy-phenyl]thiophene-2-sulfonamide CAS Name: 3-(benzenesulfonyl)-N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-2-methoxyphenyl]-2-thiophenesulfonamide IUPAC Name: 3-(benzenesulfonyl)-N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-2-methoxyphenyl]thiophene-2-sulfonamide Traditional Name: 3-besyl-N-[4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-2-methoxy-phenyl]thiophene-2-sulfonamide Formula: C26H21ClN2O5S3 MolecularWeight: 573.10334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NCCC3=C2C=C(C=C3)Cl)NS(=O)(=O)C4=C(C=CS4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NCCC3=C2C=C(C=C3)Cl)NS(=O)(=O)C4=C(C=CS4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H21ClN2O5S3/c1-34-23-15-18(25-21-16-19(27)9-7-17(21)11-13-28-25)8-10-22(23)29-37(32,33)26-24(12-14-35-26)36(30,31)20-5-3-2-4-6-20/h2-10,12,14-16,29H,11,13H2,1H3