4-cyano-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 4-cyano-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 4-cyano-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 4-cyano-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 4-cyano-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 4-cyano-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N3O3S2/c22-13-15-3-5-17(6-4-15)21(25)23-19-8-7-16-9-10-24(14-18(16)12-19)29(26,27)20-2-1-11-28-20/h1-8,11-12H,9-10,14H2,(H,23,25)