3-(4-bromophenyl)propyl 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: 3-(4-bromophenyl)propyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: 3-(4-bromophenyl)propyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid 3-(4-bromophenyl)propyl ester IUPAC Name: 3-(4-bromophenyl)propyl 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid 3-(4-bromophenyl)propyl ester Formula: C21H24BrNO4S MolecularWeight: 466.38856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCCCC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCCCC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24BrNO4S/c22-18-13-11-17(12-14-18)7-6-16-27-21(24)20-10-4-5-15-23(20)28(25,26)19-8-2-1-3-9-19/h1-3,8-9,11-14,20H,4-7,10,15-16H2