methyl 4-[(4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]benzoate

Systemtic Name: methyl 4-[(4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]benzoate Openeye Name: methyl 4-[(4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]benzoate CAS Name: 4-[[4-ethyl-5-(2-pyrrolidinyl)-1,2,4-triazol-3-yl]sulfonylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]benzoate Traditional Name: 4-[(4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl)sulfonylmethyl]benzoic acid methyl ester Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1S(=O)(=O)CC2=CC=C(C=C2)C(=O)OC)C3CCCN3

Isomeric SMILES

CCN1C(=NN=C1S(=O)(=O)CC2=CC=C(C=C2)C(=O)OC)C3CCCN3

InChI

InChI=1S/C17H22N4O4S/c1-3-21-15(14-5-4-10-18-14)19-20-17(21)26(23,24)11-12-6-8-13(9-7-12)16(22)25-2/h6-9,14,18H,3-5,10-11H2,1-2H3