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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S2/c1-2-3-4-7-12-18-17-22-23-21(18,28(24,25)19-13-8-5-9-14-19)29(26,27)20-15-10-6-11-16-20/h5-6,8-11,13-16,18H,2-4,17H2,1H3