4-[4-[bis(4-dimethylaminophenyl)-oxidanyl-methyl]-5-methyl-3-oxidanyl-3,4-dihydropyrazol-2-yl]benzenesulfonate

Systemtic Name: 4-[4-[bis(4-dimethylaminophenyl)-oxidanyl-methyl]-5-methyl-3-oxidanyl-3,4-dihydropyrazol-2-yl]benzenesulfonate Openeye Name: 4-[4-[bis(4-dimethylaminophenyl)-hydroxy-methyl]-3-hydroxy-5-methyl-3,4-dihydropyrazol-2-yl]benzenesulfonate CAS Name: 4-[4-[bis(4-dimethylaminophenyl)-hydroxymethyl]-3-hydroxy-5-methyl-3,4-dihydropyrazol-2-yl]benzenesulfonate IUPAC Name: 4-[4-[bis(4-dimethylaminophenyl)-hydroxymethyl]-3-hydroxy-5-methyl-3,4-dihydropyrazol-2-yl]benzenesulfonate Traditional Name: 4-[4-[bis(4-dimethylaminophenyl)-hydroxy-methyl]-5-hydroxy-3-methyl-2-pyrazolin-1-yl]besylate Formula: C27H31N4O5S- MolecularWeight: 523.62384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1C(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)N(C)C)O)O)C4=CC=C(C=C4)S(=O)(=O)[O-]

Isomeric SMILES

CC1=NN(C(C1C(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)N(C)C)O)O)C4=CC=C(C=C4)S(=O)(=O)[O-]

InChI

InChI=1S/C27H32N4O5S/c1-18-25(26(32)31(28-18)23-14-16-24(17-15-23)37(34,35)36)27(33,19-6-10-21(11-7-19)29(2)3)20-8-12-22(13-9-20)30(4)5/h6-17,25-26,32-33H,1-5H3,(H,34,35,36)/p-1