(6-chloranyl-4-piperazin-1-yl-pyridin-2-yl)-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methanone

Systemtic Name: (6-chloranyl-4-piperazin-1-yl-pyridin-2-yl)-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methanone Openeye Name: (6-chloro-4-piperazin-1-yl-2-pyridyl)-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methanone CAS Name: [6-chloro-4-(1-piperazinyl)-2-pyridinyl]-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methanone IUPAC Name: (6-chloro-4-piperazin-1-ylpyridin-2-yl)-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methanone Traditional Name: (6-chloro-4-piperazino-2-pyridyl)-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methanone Formula: C25H25ClN4O3S MolecularWeight: 497.009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3C(=O)C4=NC(=CC(=C4)N5CCNCC5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3C(=O)C4=NC(=CC(=C4)N5CCNCC5)Cl

InChI

InChI=1S/C25H25ClN4O3S/c26-24-16-20(29-13-10-27-11-14-29)15-22(28-24)25(31)21-7-3-4-8-23(21)34(32,33)30-12-9-18-5-1-2-6-19(18)17-30/h1-8,15-16,27H,9-14,17H2