[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H28N2O5S2/c1-14-12-15(2)20(16(3)13-14)23-21(25)17(4)29-22(26)18-7-9-24(10-8-18)31(27,28)19-6-5-11-30-19/h5-6,11-13,17-18H,7-10H2,1-4H3,(H,23,25)