methyl 3-(4,5-diaminocarbonyl-1,2,3-triazol-1-yl)-1-methylsulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl 3-(4,5-diaminocarbonyl-1,2,3-triazol-1-yl)-1-methylsulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl 3-(4,5-dicarbamoyltriazol-1-yl)-1-methylsulfonyl-pyrrolidine-2-carboxylate CAS Name: 3-(4,5-dicarbamoyl-1-triazolyl)-1-methylsulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-(4,5-dicarbamoyltriazol-1-yl)-1-methylsulfonylpyrrolidine-2-carboxylate Traditional Name: 3-(4,5-dicarbamoyltriazol-1-yl)-1-mesyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C11H16N6O6S MolecularWeight: 360.34634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CCN1S(=O)(=O)C)N2C(=C(N=N2)C(=O)N)C(=O)N

Isomeric SMILES

COC(=O)C1C(CCN1S(=O)(=O)C)N2C(=C(N=N2)C(=O)N)C(=O)N

InChI

InChI=1S/C11H16N6O6S/c1-23-11(20)7-5(3-4-16(7)24(2,21)22)17-8(10(13)19)6(9(12)18)14-15-17/h5,7H,3-4H2,1-2H3,(H2,12,18)(H2,13,19)