(3S)-2-(1-azanylisoquinolin-7-yl)carbonyl-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(1-azanylisoquinolin-7-yl)carbonyl-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(1-aminoisoquinoline-7-carbonyl)-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(1-amino-7-isoquinolinyl)-oxomethyl]-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(1-aminoisoquinoline-7-carbonyl)-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(1-aminoisoquinoline-7-carbonyl)-N-[4-(2-sulfamoylphenyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C32H27N5O4S MolecularWeight: 577.65288

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C=CN=C4N)C(=O)NC5=CC=C(C=C5)C6=CC=CC=C6S(=O)(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C=CN=C4N)C(=O)NC5=CC=C(C=C5)C6=CC=CC=C6S(=O)(=O)N

InChI

InChI=1S/C32H27N5O4S/c33-30-27-17-23(10-9-21(27)15-16-35-30)32(39)37-19-24-6-2-1-5-22(24)18-28(37)31(38)36-25-13-11-20(12-14-25)26-7-3-4-8-29(26)42(34,40)41/h1-17,28H,18-19H2,(H2,33,35)(H,36,38)(H2,34,40,41)/t28-/m0/s1