[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (2-keto-2-mesidino-ethyl) ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C25H32N2O5S/c1-18-15-19(2)25(20(3)16-18)26-23(28)17-32-24(29)12-9-21-7-10-22(11-8-21)33(30,31)27-13-5-4-6-14-27/h7-8,10-11,15-16H,4-6,9,12-14,17H2,1-3H3,(H,26,28)