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

Systemtic Name: 2-[(2-bromophenyl)sulfonyl-piperidin-4-yl-methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(2-bromophenyl)sulfonyl-(4-piperidyl)methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(2-bromophenyl)sulfonyl-(4-piperidinyl)methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(2-bromophenyl)sulfonyl-piperidin-4-ylmethyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(2-bromophenyl)sulfonyl-(4-piperidyl)methyl]-3,4-dihydro-1H-isoquinoline Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CNCCC1C(N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4Br

InChI

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