3-(4-bromophenyl)propyl 1-(phenylmethyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: 3-(4-bromophenyl)propyl 1-(phenylmethyl)sulfonylpiperidine-2-carboxylate Openeye Name: 3-(4-bromophenyl)propyl 1-benzylsulfonylpiperidine-2-carboxylate CAS Name: 1-(phenylmethyl)sulfonyl-2-piperidinecarboxylic acid 3-(4-bromophenyl)propyl ester IUPAC Name: 3-(4-bromophenyl)propyl 1-benzylsulfonylpiperidine-2-carboxylate Traditional Name: 1-benzylsulfonylpipecolinic acid 3-(4-bromophenyl)propyl ester Formula: C22H26BrNO4S MolecularWeight: 480.41514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCCCC2=CC=C(C=C2)Br)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCCCC2=CC=C(C=C2)Br)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H26BrNO4S/c23-20-13-11-18(12-14-20)9-6-16-28-22(25)21-10-4-5-15-24(21)29(26,27)17-19-7-2-1-3-8-19/h1-3,7-8,11-14,21H,4-6,9-10,15-17H2