methyl 3-[5-methyl-3-oxidanylidene-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]-2-(methylsulfonylamino)propanoate

Systemtic Name: methyl 3-[5-methyl-3-oxidanylidene-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]-2-(methylsulfonylamino)propanoate Openeye Name: methyl 2-(methanesulfonamido)-3-[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]propanoate CAS Name: 2-(methanesulfonamido)-3-[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidinyl)ethyl]-1,2,4-triazolidin-1-yl]propanoic acid methyl ester IUPAC Name: methyl 2-(methanesulfonamido)-3-[5-methyl-3-oxo-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]propanoate Traditional Name: 3-[3-keto-5-methyl-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]-2-(methanesulfonamido)propionic acid methyl ester Formula: C21H33N5O5S MolecularWeight: 467.58222

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(N(C(=O)N1C2=CC=CC=C2)CCC3CCNCC3)CC(C(=O)OC)NS(=O)(=O)C

Isomeric SMILES

CC1N(N(C(=O)N1C2=CC=CC=C2)CCC3CCNCC3)CC(C(=O)OC)NS(=O)(=O)C

InChI

InChI=1S/C21H33N5O5S/c1-16-25(15-19(20(27)31-2)23-32(3,29)30)24(14-11-17-9-12-22-13-10-17)21(28)26(16)18-7-5-4-6-8-18/h4-8,16-17,19,22-23H,9-15H2,1-3H3