4-(3,3-dimethylbut-1-ynyl)-5,5-bis(phenylsulfonyl)-3,4-dihydropyrazole

Systemtic Name: 4-(3,3-dimethylbut-1-ynyl)-5,5-bis(phenylsulfonyl)-3,4-dihydropyrazole Openeye Name: 5,5-bis(benzenesulfonyl)-4-(3,3-dimethylbut-1-ynyl)-3,4-dihydropyrazole CAS Name: 5,5-bis(benzenesulfonyl)-4-(3,3-dimethylbut-1-ynyl)-3,4-dihydropyrazole IUPAC Name: 5,5-bis(benzenesulfonyl)-4-(3,3-dimethylbut-1-ynyl)-3,4-dihydropyrazole Traditional Name: 3,3-dibesyl-4-(3,3-dimethylbut-1-ynyl)-1-pyrazoline Formula: C21H22N2O4S2 MolecularWeight: 430.54038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1CN=NC1(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C#CC1CN=NC1(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S2/c1-20(2,3)15-14-17-16-22-23-21(17,28(24,25)18-10-6-4-7-11-18)29(26,27)19-12-8-5-9-13-19/h4-13,17H,16H2,1-3H3