[(2R)-1-oxidanylidene-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [(1R)-2-keto-1-methyl-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC(C)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)O[C@H](C)C(=O)N[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5S/c1-17-12-13-21(32(29,30)26-14-8-5-9-15-26)16-22(17)24(28)31-19(3)23(27)25-18(2)20-10-6-4-7-11-20/h4,6-7,10-13,16,18-19H,5,8-9,14-15H2,1-3H3,(H,25,27)/t18-,19-/m1/s1