[(2S)-1-(4-bromophenyl)sulfonylpiperidin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [(2S)-1-(4-bromophenyl)sulfonylpiperidin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [(2S)-1-(4-bromophenyl)sulfonyl-2-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [(2S)-1-(4-bromophenyl)sulfonyl-2-piperidinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [(2S)-1-(4-bromophenyl)sulfonylpiperidin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [(2S)-1-brosyl-2-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H23BrN2O3S/c22-18-8-10-19(11-9-18)28(26,27)24-13-4-3-7-20(24)21(25)23-14-12-16-5-1-2-6-17(16)15-23/h1-2,5-6,8-11,20H,3-4,7,12-15H2/t20-/m0/s1