ethyl 4-[2-[5-azanyl-4-(4-chlorophenyl)sulfonyl-3-methylsulfanyl-pyrazol-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[5-azanyl-4-(4-chlorophenyl)sulfonyl-3-methylsulfanyl-pyrazol-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanyl-pyrazol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-(methylthio)-1-pyrazolyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-(methylthio)pyrazol-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C21H21ClN4O5S2 MolecularWeight: 508.99824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O5S2/c1-3-31-21(28)13-4-8-15(9-5-13)24-17(27)12-26-19(23)18(20(25-26)32-2)33(29,30)16-10-6-14(22)7-11-16/h4-11H,3,12,23H2,1-2H3,(H,24,27)