3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-quinolin-8-ylethyl)benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-quinolin-8-ylethyl)benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(8-quinolyl)ethyl]benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(8-quinolinyl)ethyl]benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-quinolin-8-ylethyl)benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(8-quinolyl)ethyl]benzamide Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCCC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NCCC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H25N3O3S/c31-27(29-16-13-22-9-3-8-21-11-5-15-28-26(21)22)23-10-4-12-25(18-23)34(32,33)30-17-14-20-6-1-2-7-24(20)19-30/h1-12,15,18H,13-14,16-17,19H2,(H,29,31)