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

Systemtic Name: N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]-3-(phenylsulfonyl)thiophene-2-sulfonamide Openeye Name: 3-(benzenesulfonyl)-N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]thiophene-2-sulfonamide CAS Name: 3-(benzenesulfonyl)-N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]-2-thiophenesulfonamide IUPAC Name: 3-(benzenesulfonyl)-N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]thiophene-2-sulfonamide Traditional Name: 3-besyl-N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]thiophene-2-sulfonamide Formula: C31H24N2O5S3 MolecularWeight: 600.72766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=C1C=CC(=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)NS(=O)(=O)C5=C(C=CS5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN=C(C2=C1C=CC(=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)NS(=O)(=O)C5=C(C=CS5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H24N2O5S3/c34-40(35,27-9-5-2-6-10-27)29-18-20-39-31(29)41(36,37)33-24-14-11-23(12-15-24)30-28-21-26(16-13-22(28)17-19-32-30)38-25-7-3-1-4-8-25/h1-16,18,20-21,33H,17,19H2