[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S2/c1-15(2)18-7-4-6-16(3)21(18)23-19(25)14-29-22(26)17-9-11-24(12-10-17)31(27,28)20-8-5-13-30-20/h4-8,13,15,17H,9-12,14H2,1-3H3,(H,23,25)