N-[4-[6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-[6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1-mesyl-isonipecotamide Formula: C23H27Cl2N3O3S MolecularWeight: 496.44978

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=CC(=CC(=C2C1)Cl)Cl)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CN1CC(C2=CC(=CC(=C2C1)Cl)Cl)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C23H27Cl2N3O3S/c1-27-13-20(19-11-17(24)12-22(25)21(19)14-27)15-3-5-18(6-4-15)26-23(29)16-7-9-28(10-8-16)32(2,30)31/h3-6,11-12,16,20H,7-10,13-14H2,1-2H3,(H,26,29)