[(1R)-1-phenylethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [(1R)-1-phenylethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [(1R)-1-phenylethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-1-phenylethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [(1R)-1-phenylethyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H27NO4S/c1-18(20-8-4-2-5-9-20)27-22(24)15-12-19-10-13-21(14-11-19)28(25,26)23-16-6-3-7-17-23/h2,4-5,8-11,13-14,18H,3,6-7,12,15-17H2,1H3/t18-/m1/s1