[(1R)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(1R)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [(1R)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5S/c1-4-26(5-2)24(28)23(20-12-8-6-9-13-20)32-25(29)21-15-14-19(3)22(18-21)33(30,31)27-16-10-7-11-17-27/h6,8-9,12-15,18,23H,4-5,7,10-11,16-17H2,1-3H3/t23-/m1/s1