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

Systemtic Name: N-[4-(3,4-dihydroisoquinolin-1-yl)-2-methoxy-phenyl]-3-(phenylsulfonyl)thiophene-2-sulfonamide Openeye Name: 3-(benzenesulfonyl)-N-[4-(3,4-dihydroisoquinolin-1-yl)-2-methoxy-phenyl]thiophene-2-sulfonamide CAS Name: 3-(benzenesulfonyl)-N-[4-(3,4-dihydroisoquinolin-1-yl)-2-methoxyphenyl]-2-thiophenesulfonamide IUPAC Name: 3-(benzenesulfonyl)-N-[4-(3,4-dihydroisoquinolin-1-yl)-2-methoxyphenyl]thiophene-2-sulfonamide Traditional Name: 3-besyl-N-[4-(3,4-dihydroisoquinolin-1-yl)-2-methoxy-phenyl]thiophene-2-sulfonamide Formula: C26H22N2O5S3 MolecularWeight: 538.65828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NCCC3=CC=CC=C32)NS(=O)(=O)C4=C(C=CS4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NCCC3=CC=CC=C32)NS(=O)(=O)C4=C(C=CS4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H22N2O5S3/c1-33-23-17-19(25-21-10-6-5-7-18(21)13-15-27-25)11-12-22(23)28-36(31,32)26-24(14-16-34-26)35(29,30)20-8-3-2-4-9-20/h2-12,14,16-17,28H,13,15H2,1H3