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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)N3CCC4=CC=CC=C4C3

InChI

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