[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [(1S)-1-(benzylcarbamoyl)propyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxobutan-2-yl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [(1S)-1-(benzylcarbamoyl)propyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC[C@@H](C(=O)NCC1=CC=CC=C1)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C25H32N2O5S/c1-2-23(25(29)26-19-21-9-5-3-6-10-21)32-24(28)16-13-20-11-14-22(15-12-20)33(30,31)27-17-7-4-8-18-27/h3,5-6,9-12,14-15,23H,2,4,7-8,13,16-19H2,1H3,(H,26,29)/t23-/m0/s1