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

Systemtic Name: N-(3-cyanothiophen-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-(3-cyano-2-thienyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(3-cyano-2-thiophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-(3-cyanothiophen-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(3-cyano-2-thienyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=CS4)C#N

InChI

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