methyl 3-[[5-[(4-butoxyphenyl)sulfonylamino]-4-pyridin-2-yl-1H-pyrazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[5-[(4-butoxyphenyl)sulfonylamino]-4-pyridin-2-yl-1H-pyrazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[5-[(4-butoxyphenyl)sulfonylamino]-4-(2-pyridyl)-1H-pyrazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-[(4-butoxyphenyl)sulfonylamino]-4-(2-pyridinyl)-1H-pyrazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-[(4-butoxyphenyl)sulfonylamino]-4-pyridin-2-yl-1H-pyrazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-[(4-butoxyphenyl)sulfonylamino]-4-(2-pyridyl)-1H-pyrazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C27H28N4O5S2 MolecularWeight: 552.66502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NN2)SCC3=CC=CC(=C3)C(=O)OC)C4=CC=CC=N4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NN2)SCC3=CC=CC(=C3)C(=O)OC)C4=CC=CC=N4

InChI

InChI=1S/C27H28N4O5S2/c1-3-4-16-36-21-11-13-22(14-12-21)38(33,34)31-25-24(23-10-5-6-15-28-23)26(30-29-25)37-18-19-8-7-9-20(17-19)27(32)35-2/h5-15,17H,3-4,16,18H2,1-2H3,(H2,29,30,31)