methyl 4-[2-[5-azanyl-3-methylsulfanyl-4-(phenylsulfonyl)pyrazol-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-azanyl-3-methylsulfanyl-4-(phenylsulfonyl)pyrazol-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-amino-4-(benzenesulfonyl)-3-methylsulfanyl-pyrazol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[5-amino-4-(benzenesulfonyl)-3-(methylthio)-1-pyrazolyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-amino-4-(benzenesulfonyl)-3-methylsulfanylpyrazol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-amino-4-besyl-3-(methylthio)pyrazol-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=C(C(=N2)SC)S(=O)(=O)C3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=C(C(=N2)SC)S(=O)(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C20H20N4O5S2/c1-29-20(26)13-8-10-14(11-9-13)22-16(25)12-24-18(21)17(19(23-24)30-2)31(27,28)15-6-4-3-5-7-15/h3-11H,12,21H2,1-2H3,(H,22,25)