N-[2-(4-aminophenyl)-2-oxidanyl-ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

Systemtic Name: N-[2-(4-aminophenyl)-2-oxidanyl-ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide Openeye Name: N-[2-(4-aminophenyl)-2-hydroxy-ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide CAS Name: N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide IUPAC Name: N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide Traditional Name: N-[2-(4-aminophenyl)-2-hydroxy-ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide Formula: C13H18N4O3S MolecularWeight: 310.37202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)NCC(C2=CC=C(C=C2)N)O

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)NCC(C2=CC=C(C=C2)N)O

InChI

InChI=1S/C13H18N4O3S/c1-8-13(9(2)17-16-8)21(19,20)15-7-12(18)10-3-5-11(14)6-4-10/h3-6,12,15,18H,7,14H2,1-2H3,(H,16,17)