[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H28N2O5S2 MolecularWeight: 512.64092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C26H28N2O5S2/c1-18-15-19(2)17-22(16-18)27-25(29)24(20-7-4-3-5-8-20)33-26(30)21-10-12-28(13-11-21)35(31,32)23-9-6-14-34-23/h3-9,14-17,21,24H,10-13H2,1-2H3,(H,27,29)