3-cyano-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 3-cyano-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-cyano-benzamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-cyanobenzamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-cyanobenzamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-cyano-benzamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O3S/c24-15-17-5-4-6-19(13-17)23(27)25-21-10-9-18-11-12-26(16-20(18)14-21)30(28,29)22-7-2-1-3-8-22/h1-10,13-14H,11-12,16H2,(H,25,27)