[2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[[1-(4-isopropylphenyl)-2-methyl-propyl]amino]-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-[(2-methyl-1-p-cumenyl-propyl)amino]ethyl] ester Formula: C25H34N2O5S2 MolecularWeight: 506.67786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O5S2/c1-17(2)19-7-9-20(10-8-19)24(18(3)4)26-22(28)16-32-25(29)21-11-13-27(14-12-21)34(30,31)23-6-5-15-33-23/h5-10,15,17-18,21,24H,11-14,16H2,1-4H3,(H,26,28)