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

Systemtic Name: methyl 2-(butylsulfonylamino)-3-[5-methyl-3-oxidanylidene-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]propanoate Openeye Name: methyl 2-(butylsulfonylamino)-3-[5-methyl-3-oxo-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]propanoate CAS Name: 2-(butylsulfonylamino)-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-(butylsulfonylamino)-3-[5-methyl-3-oxo-4-phenyl-2-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]propanoate Traditional Name: 2-(butylsulfonylamino)-3-[3-keto-5-methyl-4-phenyl-2-[2-(4-piperidyl)ethyl]-1,2,4-triazolidin-1-yl]propionic acid methyl ester Formula: C24H39N5O5S MolecularWeight: 509.66196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CN1C(N(C(=O)N1CCC2CCNCC2)C3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CCCCS(=O)(=O)NC(CN1C(N(C(=O)N1CCC2CCNCC2)C3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C24H39N5O5S/c1-4-5-17-35(32,33)26-22(23(30)34-3)18-28-19(2)29(21-9-7-6-8-10-21)24(31)27(28)16-13-20-11-14-25-15-12-20/h6-10,19-20,22,25-26H,4-5,11-18H2,1-3H3