methyl 3-[[4-(4-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfonyl]propanoate

Systemtic Name: methyl 3-[[4-(4-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfonyl]propanoate Openeye Name: methyl 3-[[4-(p-tolyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfonyl]propanoate CAS Name: 3-[[4-(4-methylphenyl)-5-(2-pyrrolidinyl)-1,2,4-triazol-3-yl]sulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfonyl]propanoate Traditional Name: 3-[[4-(p-tolyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfonyl]propionic acid methyl ester Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2S(=O)(=O)CCC(=O)OC)C3CCCN3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2S(=O)(=O)CCC(=O)OC)C3CCCN3

InChI

InChI=1S/C17H22N4O4S/c1-12-5-7-13(8-6-12)21-16(14-4-3-10-18-14)19-20-17(21)26(23,24)11-9-15(22)25-2/h5-8,14,18H,3-4,9-11H2,1-2H3