1-[4,5-bis(bromanyl)thiophen-2-yl]sulfonyl-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[4,5-bis(bromanyl)thiophen-2-yl]sulfonyl-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[(4,5-dibromo-2-thienyl)sulfonyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[(4,5-dibromo-2-thiophenyl)sulfonyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-(4,5-dibromothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[(4,5-dibromo-2-thienyl)sulfonyl]-4-phenyl-isonipecotic acid Formula: C16H15Br2NO4S2 MolecularWeight: 509.2326

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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(S3)Br)Br

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC(=C(S3)Br)Br

InChI

InChI=1S/C16H15Br2NO4S2/c17-12-10-13(24-14(12)18)25(22,23)19-8-6-16(7-9-19,15(20)21)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,20,21)