N-[4-acetamido-2-(4-chloranylpyrazol-1-yl)-5-oxidanyl-phenyl]-2-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-[4-acetamido-2-(4-chloranylpyrazol-1-yl)-5-oxidanyl-phenyl]-2-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[4-acetamido-2-(4-chloropyrazol-1-yl)-5-hydroxy-phenyl]-2-(p-tolylsulfonyl)propanamide CAS Name: N-[4-acetamido-2-(4-chloro-1-pyrazolyl)-5-hydroxyphenyl]-2-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[4-acetamido-2-(4-chloropyrazol-1-yl)-5-hydroxyphenyl]-2-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[4-acetamido-2-(4-chloropyrazol-1-yl)-5-hydroxy-phenyl]-2-tosyl-propionamide Formula: C21H21ClN4O5S MolecularWeight: 476.93324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C)C(=O)NC2=CC(=C(C=C2N3C=C(C=N3)Cl)NC(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C)C(=O)NC2=CC(=C(C=C2N3C=C(C=N3)Cl)NC(=O)C)O

InChI

InChI=1S/C21H21ClN4O5S/c1-12-4-6-16(7-5-12)32(30,31)13(2)21(29)25-17-9-20(28)18(24-14(3)27)8-19(17)26-11-15(22)10-23-26/h4-11,13,28H,1-3H3,(H,24,27)(H,25,29)