[(2S)-1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-phenyl-3-pyridin-3-yl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-[3-(dimethylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl] 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate CAS Name: 1-phenyl-3-(3-pyridinyl)-4-pyrazolecarboxylic acid [(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylic acid [(1S)-2-[3-(dimethylsulfamoyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C26H25N5O5S MolecularWeight: 519.5722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)OC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)OC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N5O5S/c1-18(25(32)28-20-10-7-13-22(15-20)37(34,35)30(2)3)36-26(33)23-17-31(21-11-5-4-6-12-21)29-24(23)19-9-8-14-27-16-19/h4-18H,1-3H3,(H,28,32)/t18-/m0/s1