1-(4-bromophenyl)sulfonyl-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-(4-bromophenyl)sulfonyl-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-(4-bromophenyl)sulfonyl-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-brosyl-4-phenyl-isonipecotic acid Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrNO4S/c19-15-6-8-16(9-7-15)25(23,24)20-12-10-18(11-13-20,17(21)22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,22)