2-(phenylcarbonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(phenylcarbonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-benzoyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-benzoyl-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-benzoyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-benzoyl-N-(4-pyrrolidinosulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H27N3O4S MolecularWeight: 489.58598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O4S/c31-26(28-23-12-14-24(15-13-23)35(33,34)29-16-6-7-17-29)25-18-21-10-4-5-11-22(21)19-30(25)27(32)20-8-2-1-3-9-20/h1-5,8-15,25H,6-7,16-19H2,(H,28,31)