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

Systemtic Name: 2-chloranyl-N-(4-cyanophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: 2-chloro-N-(4-cyanophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: 2-chloro-N-(4-cyanophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: 2-chloro-N-(4-cyanophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: 2-chloro-N-(4-cyanophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H18ClN3O3S/c24-22-10-9-20(13-21(22)23(28)26-19-7-5-16(14-25)6-8-19)31(29,30)27-12-11-17-3-1-2-4-18(17)15-27/h1-10,13H,11-12,15H2,(H,26,28)