[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-[methyl(3-thienylmethyl)amino]-2-oxo-ethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[methyl(3-thiophenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid [2-keto-2-[methyl(3-thenyl)amino]ethyl] ester Formula: C24H32N2O5S2 MolecularWeight: 492.65128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N(C)CC3=CSC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)N(C)CC3=CSC=C3

InChI

InChI=1S/C24H32N2O5S2/c1-24(2,3)20-5-7-21(8-6-20)33(29,30)26-12-9-19(10-13-26)23(28)31-16-22(27)25(4)15-18-11-14-32-17-18/h5-8,11,14,17,19H,9-10,12-13,15-16H2,1-4H3