2-[[4-[[5-(methoxymethyl)-1-methyl-3-propyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[4-[[5-(methoxymethyl)-1-methyl-3-propyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[4-[[5-(methoxymethyl)-1-methyl-3-propyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[4-[[5-(methoxymethyl)-1-methyl-3-propyl-4-pyrazolyl]methyl]anilino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[4-[[5-(methoxymethyl)-1-methyl-3-propylpyrazol-4-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[4-[[5-(methoxymethyl)-1-methyl-3-propyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]besylic acid Formula: C23H27N3O5S MolecularWeight: 457.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O)COC)C

Isomeric SMILES

CCCC1=NN(C(=C1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O)COC)C

InChI

InChI=1S/C23H27N3O5S/c1-4-7-20-19(21(15-31-3)26(2)25-20)14-16-10-12-17(13-11-16)24-23(27)18-8-5-6-9-22(18)32(28,29)30/h5-6,8-13H,4,7,14-15H2,1-3H3,(H,24,27)(H,28,29,30)