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

Systemtic Name: ethyl 3-[2-[5-azanyl-3-ethylsulfanyl-4-(phenylsulfonyl)pyrazol-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanyl-pyrazol-1-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[5-amino-4-(benzenesulfonyl)-3-(ethylthio)-1-pyrazolyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[5-amino-4-besyl-3-(ethylthio)pyrazol-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=C(C(=N2)SCC)S(=O)(=O)C3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(=C(C(=N2)SCC)S(=O)(=O)C3=CC=CC=C3)N

InChI

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