[2-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate Openeye Name: [2-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-(3,4-dichlorophenyl)-5-(methoxymethyl)-3-pyrazolyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrazol-3-yl] ester Formula: C19H17Cl2N3O5S MolecularWeight: 470.32638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC(=C(C=C3)Cl)Cl)COC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC(=C(C=C3)Cl)Cl)COC

InChI

InChI=1S/C19H17Cl2N3O5S/c1-12(25)22-13-3-6-16(7-4-13)30(26,27)29-19-9-14(11-28-2)23-24(19)15-5-8-17(20)18(21)10-15/h3-10H,11H2,1-2H3,(H,22,25)