3-chloranyl-4-methylsulfonyl-N-[3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl]thiophene-2-carboxamide

Systemtic Name: 3-chloranyl-4-methylsulfonyl-N-[3-[(1-oxidanylidene-2H-isoquinolin-4-yl)methyl]phenyl]thiophene-2-carboxamide Openeye Name: 3-chloro-4-methylsulfonyl-N-[3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl]thiophene-2-carboxamide CAS Name: 3-chloro-4-methylsulfonyl-N-[3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: 3-chloro-4-methylsulfonyl-N-[3-[(1-oxo-2H-isoquinolin-4-yl)methyl]phenyl]thiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-[(1-keto-2H-isoquinolin-4-yl)methyl]phenyl]-4-mesyl-thiophene-2-carboxamide Formula: C22H17ClN2O4S2 MolecularWeight: 472.96438

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CSC(=C1Cl)C(=O)NC2=CC=CC(=C2)CC3=CNC(=O)C4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)C1=CSC(=C1Cl)C(=O)NC2=CC=CC(=C2)CC3=CNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H17ClN2O4S2/c1-31(28,29)18-12-30-20(19(18)23)22(27)25-15-6-4-5-13(10-15)9-14-11-24-21(26)17-8-3-2-7-16(14)17/h2-8,10-12H,9H2,1H3,(H,24,26)(H,25,27)