3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(4-methoxyphenyl)benzenesulfonamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(4-methoxyphenyl)benzenesulfonamide Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N-(4-methoxyphenyl)benzenesulfonamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H22N2O4S/c1-29-21-11-9-20(10-12-21)24-30(27,28)22-8-4-7-18(15-22)23(26)25-14-13-17-5-2-3-6-19(17)16-25/h2-12,15,24H,13-14,16H2,1H3