4-methyl-3-[methyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]sulfamoyl]benzoic acid

Systemtic Name: 4-methyl-3-[methyl-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]sulfamoyl]benzoic acid Openeye Name: 4-methyl-3-[methyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]sulfamoyl]benzoic acid CAS Name: 4-methyl-3-[methyl-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]sulfamoyl]benzoic acid IUPAC Name: 4-methyl-3-[methyl-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]sulfamoyl]benzoic acid Traditional Name: 4-methyl-3-[methyl-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]sulfamoyl]benzoic acid Formula: C23H21N3O4S2 MolecularWeight: 467.56054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N(C)CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N(C)CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4S2/c1-16-10-11-17(23(27)28)13-21(16)32(29,30)25(2)14-18-15-26(19-7-4-3-5-8-19)24-22(18)20-9-6-12-31-20/h3-13,15H,14H2,1-2H3,(H,27,28)