methyl 4-[2-[5-azanyl-3-ethylsulfanyl-4-(4-methylphenyl)sulfonyl-pyrazol-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-azanyl-3-ethylsulfanyl-4-(4-methylphenyl)sulfonyl-pyrazol-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-amino-3-ethylsulfanyl-4-(p-tolylsulfonyl)pyrazol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[5-amino-3-(ethylthio)-4-(4-methylphenyl)sulfonyl-1-pyrazolyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-amino-3-(ethylthio)-4-tosyl-pyrazol-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)C)N)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCSC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)C)N)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H24N4O5S2/c1-4-32-21-19(33(29,30)17-11-5-14(2)6-12-17)20(23)26(25-21)13-18(27)24-16-9-7-15(8-10-16)22(28)31-3/h5-12H,4,13,23H2,1-3H3,(H,24,27)