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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5)Cl

InChI

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