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

Systemtic Name: [4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C24H24ClN5O3S MolecularWeight: 497.99706

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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=NC=CC=N5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN5O3S/c25-21-7-6-19(23(31)28-12-14-29(15-13-28)24-26-9-3-10-27-24)16-22(21)34(32,33)30-11-8-18-4-1-2-5-20(18)17-30/h1-7,9-10,16H,8,11-15,17H2