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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

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