[2-ethyl-4-[2-(4-methoxyphenyl)sulfanyl-4-methylsulfonyl-phenyl]carbonyl-pyrazol-3-yl] propane-1-sulfonate

Systemtic Name: [2-ethyl-4-[2-(4-methoxyphenyl)sulfanyl-4-methylsulfonyl-phenyl]carbonyl-pyrazol-3-yl] propane-1-sulfonate Openeye Name: [2-ethyl-4-[2-(4-methoxyphenyl)sulfanyl-4-methylsulfonyl-benzoyl]pyrazol-3-yl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [2-ethyl-4-[2-(4-methoxyphenyl)sulfanyl-4-methylsulfonylbenzoyl]pyrazol-3-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [2-ethyl-4-[4-mesyl-2-[(4-methoxyphenyl)thio]benzoyl]pyrazol-3-yl] ester Formula: C23H26N2O7S3 MolecularWeight: 538.65674

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=C(C=NN1CC)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)SC3=CC=C(C=C3)OC

Isomeric SMILES

CCCS(=O)(=O)OC1=C(C=NN1CC)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H26N2O7S3/c1-5-13-35(29,30)32-23-20(15-24-25(23)6-2)22(26)19-12-11-18(34(4,27)28)14-21(19)33-17-9-7-16(31-3)8-10-17/h7-12,14-15H,5-6,13H2,1-4H3