[2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(2-methyl-1-thiophen-2-yl-propyl)amino]-2-oxidanylidene-ethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-[[2-methyl-1-(2-thienyl)propyl]amino]-2-oxo-ethyl] (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-tosylpyrrolidine-2-carboxylic acid [2-keto-2-[[2-methyl-1-(2-thienyl)propyl]amino]ethyl] ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NC(C3=CC=CS3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)NC(C3=CC=CS3)C(C)C

InChI

InChI=1S/C22H28N2O5S2/c1-15(2)21(19-7-5-13-30-19)23-20(25)14-29-22(26)18-6-4-12-24(18)31(27,28)17-10-8-16(3)9-11-17/h5,7-11,13,15,18,21H,4,6,12,14H2,1-3H3,(H,23,25)/t18-,21?/m0/s1