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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylsulfonylphenyl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylsulfonylphenyl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylsulfonylphenyl)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-methylsulfonylphenyl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-mesylphenyl)benzamide Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H22N2O5S2/c1-31(27,28)22-9-5-4-8-21(22)24-23(26)18-10-12-20(13-11-18)32(29,30)25-15-14-17-6-2-3-7-19(17)16-25/h2-13H,14-16H2,1H3,(H,24,26)