2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylsulfanylphenyl)benzamide

Systemtic Name: 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylsulfanylphenyl)benzamide Openeye Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylsulfanylphenyl)benzamide CAS Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(methylthio)phenyl]benzamide IUPAC Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylsulfanylphenyl)benzamide Traditional Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(methylthio)phenyl]benzamide Formula: C23H21ClN2O3S2 MolecularWeight: 473.00744

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C23H21ClN2O3S2/c1-30-22-9-5-4-8-21(22)25-23(27)19-14-18(10-11-20(19)24)31(28,29)26-13-12-16-6-2-3-7-17(16)15-26/h2-11,14H,12-13,15H2,1H3,(H,25,27)