N-(3-cyanophenyl)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(3-cyanophenyl)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(benzenesulfonyl)-N-(3-cyanophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(benzenesulfonyl)-N-(3-cyanophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(benzenesulfonyl)-N-(3-cyanophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-besyl-N-(3-cyanophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C#N

InChI

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