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

Systemtic Name: N-(4-cyanophenyl)-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-cyanophenyl)-2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4-cyanophenyl)-2-(2-naphthalenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-cyanophenyl)-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-cyanophenyl)-2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)NC5=CC=C(C=C5)C#N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H21N3O3S/c28-17-19-9-12-24(13-10-19)29-27(31)26-16-22-7-3-4-8-23(22)18-30(26)34(32,33)25-14-11-20-5-1-2-6-21(20)15-25/h1-15,26H,16,18H2,(H,29,31)