2-(phenylcarbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(phenylcarbonyl)-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-benzoyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-benzoyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-benzoyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-benzoyl-N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C25H25N3O4S/c26-33(31,32)22-12-10-18(11-13-22)14-15-27-24(29)23-16-20-8-4-5-9-21(20)17-28(23)25(30)19-6-2-1-3-7-19/h1-13,23H,14-17H2,(H,27,29)(H2,26,31,32)