[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-mesitylsulfonylpyrrolidine-2-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NCCC(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NCCC(C)C)C

InChI

InChI=1S/C21H32N2O5S/c1-14(2)8-9-22-19(24)13-28-21(25)18-7-6-10-23(18)29(26,27)20-16(4)11-15(3)12-17(20)5/h11-12,14,18H,6-10,13H2,1-5H3,(H,22,24)