(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C20H21ClN4O5S MolecularWeight: 464.92254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H21ClN4O5S/c1-14-17(19(21)25(23-14)15-5-3-2-4-6-15)13-30-20(26)18-11-16(12-22-18)31(27,28)24-7-9-29-10-8-24/h2-6,11-12,22H,7-10,13H2,1H3