[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-4-26(20-11-7-5-8-12-20)23(27)19(3)31-24(28)22-17-21(14-13-18(22)2)32(29,30)25-15-9-6-10-16-25/h5,7-8,11-14,17,19H,4,6,9-10,15-16H2,1-3H3/t19-/m0/s1