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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylsulfanylphenyl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylsulfanylphenyl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(methylthio)phenyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylsulfanylphenyl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(methylthio)phenyl]benzamide Formula: C23H22N2O3S2 MolecularWeight: 438.56238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S2/c1-29-21-8-4-7-20(15-21)24-23(26)18-9-11-22(12-10-18)30(27,28)25-14-13-17-5-2-3-6-19(17)16-25/h2-12,15H,13-14,16H2,1H3,(H,24,26)