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

Systemtic Name: N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-3-(phenylsulfonyl)thiophene-2-sulfonamide Openeye Name: 3-(benzenesulfonyl)-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]thiophene-2-sulfonamide CAS Name: 3-(benzenesulfonyl)-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-thiophenesulfonamide IUPAC Name: 3-(benzenesulfonyl)-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]thiophene-2-sulfonamide Traditional Name: 3-besyl-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]thiophene-2-sulfonamide Formula: C25H20N2O4S3 MolecularWeight: 508.6323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=CC=CC=C21)C3=CC=C(C=C3)NS(=O)(=O)C4=C(C=CS4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN=C(C2=CC=CC=C21)C3=CC=C(C=C3)NS(=O)(=O)C4=C(C=CS4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H20N2O4S3/c28-33(29,21-7-2-1-3-8-21)23-15-17-32-25(23)34(30,31)27-20-12-10-19(11-13-20)24-22-9-5-4-6-18(22)14-16-26-24/h1-13,15,17,27H,14,16H2