[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)CC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)CC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H26N2O6S/c1-17-10-11-19(15-20(17)32(29,30)25-12-6-3-7-13-25)23(28)31-16-22(27)24-21(26)14-18-8-4-2-5-9-18/h2,4-5,8-11,15H,3,6-7,12-14,16H2,1H3,(H,24,26,27)