N-[2-(4-cyanophenyl)ethyl]-2-naphthalen-2-ylsulfonyl-N-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(4-cyanophenyl)ethyl]-2-naphthalen-2-ylsulfonyl-N-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(4-cyanophenyl)ethyl]-2-(2-naphthylsulfonyl)-N-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(4-cyanophenyl)ethyl]-2-(2-naphthalenylsulfonyl)-N-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(4-cyanophenyl)ethyl]-2-naphthalen-2-ylsulfonyl-N-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(4-cyanophenyl)ethyl]-2-(2-naphthylsulfonyl)-N-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C34H32N4O4S MolecularWeight: 592.70728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)N(CCC2=CC=C(C=C2)C#N)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CCN(C1)C(=O)N(CCC2=CC=C(C=C2)C#N)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C34H32N4O4S/c35-23-26-13-11-25(12-14-26)17-20-37(34(40)36-18-5-6-19-36)33(39)32-22-29-9-3-4-10-30(29)24-38(32)43(41,42)31-16-15-27-7-1-2-8-28(27)21-31/h1-4,7-16,21,32H,5-6,17-20,22,24H2