methyl 2-[[4-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]phenyl]methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate

Systemtic Name: methyl 2-[[4-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]phenyl]methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate Openeye Name: methyl 2-[[4-[(2,6-dichlorophenyl)methylsulfonyl]phenyl]methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate CAS Name: 2-[[4-[(2,6-dichlorophenyl)methylsulfonyl]phenyl]methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(2,6-dichlorophenyl)methylsulfonyl]phenyl]methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate Traditional Name: 2-[4-(2,6-dichlorobenzyl)sulfonylbenzyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester Formula: C25H23Cl2NO4S MolecularWeight: 504.42542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CN(CCC2=CC=C1)CC3=CC=C(C=C3)S(=O)(=O)CC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

COC(=O)C1=C2CN(CCC2=CC=C1)CC3=CC=C(C=C3)S(=O)(=O)CC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C25H23Cl2NO4S/c1-32-25(29)20-5-2-4-18-12-13-28(15-21(18)20)14-17-8-10-19(11-9-17)33(30,31)16-22-23(26)6-3-7-24(22)27/h2-11H,12-16H2,1H3