2-[(2-bromanyl-5-piperidin-1-ylsulfonyl-phenyl)methoxy]-1-phenyl-ethanone

Systemtic Name: 2-[(2-bromanyl-5-piperidin-1-ylsulfonyl-phenyl)methoxy]-1-phenyl-ethanone Openeye Name: 2-[[2-bromo-5-(1-piperidylsulfonyl)phenyl]methoxy]-1-phenyl-ethanone CAS Name: 2-[[2-bromo-5-(1-piperidinylsulfonyl)phenyl]methoxy]-1-phenylethanone IUPAC Name: 2-[(2-bromo-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-phenylethanone Traditional Name: 2-(2-bromo-5-piperidinosulfonyl-benzyl)oxy-1-phenyl-ethanone Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)COCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)COCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22BrNO4S/c21-19-10-9-18(27(24,25)22-11-5-2-6-12-22)13-17(19)14-26-15-20(23)16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2