2-[(5-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylic acid

Systemtic Name: 2-[(5-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylic acid Openeye Name: 2-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-4-[5-(4-pyridyl)pyrimidin-2-yl]piperazine-1-carboxylic acid CAS Name: 2-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-4-(5-pyridin-4-yl-2-pyrimidinyl)-1-piperazinecarboxylic acid IUPAC Name: 2-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylic acid Traditional Name: 2-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-4-[5-(4-pyridyl)pyrimidin-2-yl]piperazine-1-carboxylic acid Formula: C23H23ClN6O4S MolecularWeight: 514.98452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=CC=C2)Cl)S(=O)(=O)C3CN(CCN3C(=O)O)C4=NC=C(C=N4)C5=CC=NC=C5

Isomeric SMILES

C1CN(CC2=C1C(=CC=C2)Cl)S(=O)(=O)C3CN(CCN3C(=O)O)C4=NC=C(C=N4)C5=CC=NC=C5

InChI

InChI=1S/C23H23ClN6O4S/c24-20-3-1-2-17-14-29(9-6-19(17)20)35(33,34)21-15-28(10-11-30(21)23(31)32)22-26-12-18(13-27-22)16-4-7-25-8-5-16/h1-5,7-8,12-13,21H,6,9-11,14-15H2,(H,31,32)