5-[3,5-bis(phenylmethyl)piperidin-1-yl]sulfonyl-2-bromanyl-benzoic acid

Systemtic Name: 5-[3,5-bis(phenylmethyl)piperidin-1-yl]sulfonyl-2-bromanyl-benzoic acid Openeye Name: 2-bromo-5-[(3,5-dibenzyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 5-[[3,5-bis(phenylmethyl)-1-piperidinyl]sulfonyl]-2-bromobenzoic acid IUPAC Name: 2-bromo-5-(3,5-dibenzylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(3,5-dibenzylpiperidino)sulfonyl-benzoic acid Formula: C26H26BrNO4S MolecularWeight: 528.45794

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

C1C(CN(CC1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C26H26BrNO4S/c27-25-12-11-23(16-24(25)26(29)30)33(31,32)28-17-21(13-19-7-3-1-4-8-19)15-22(18-28)14-20-9-5-2-6-10-20/h1-12,16,21-22H,13-15,17-18H2,(H,29,30)