2-[[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline hydrochloride

Systemtic Name: 2-[[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline hydrochloride Openeye Name: 2-[[1-(2-bromophenyl)sulfonyl-4-piperidyl]methyl]-3,4-dihydro-1H-isoquinoline hydrochloride CAS Name: 2-[[1-(2-bromophenyl)sulfonyl-4-piperidinyl]methyl]-3,4-dihydro-1H-isoquinoline hydrochloride IUPAC Name: 2-[[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinoline hydrochloride Traditional Name: 2-[[1-(2-bromophenyl)sulfonyl-4-piperidyl]methyl]-3,4-dihydro-1H-isoquinoline hydrochloride Formula: C21H26BrClN2O2S MolecularWeight: 485.86534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4Br.Cl

Isomeric SMILES

C1CN(CCC1CN2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4Br.Cl

InChI

InChI=1S/C21H25BrN2O2S.ClH/c22-20-7-3-4-8-21(20)27(25,26)24-13-9-17(10-14-24)15-23-12-11-18-5-1-2-6-19(18)16-23;/h1-8,17H,9-16H2;1H