(4S,5S)-4-hex-1-ynyl-5-(2-phenylethynyl)-5-(phenylsulfonyl)-3,4-dihydropyrazole

Systemtic Name: (4S,5S)-4-hex-1-ynyl-5-(2-phenylethynyl)-5-(phenylsulfonyl)-3,4-dihydropyrazole Openeye Name: (4S,5S)-5-(benzenesulfonyl)-4-hex-1-ynyl-5-(2-phenylethynyl)-3,4-dihydropyrazole CAS Name: (4S,5S)-5-(benzenesulfonyl)-4-hex-1-ynyl-5-(2-phenylethynyl)-3,4-dihydropyrazole IUPAC Name: (4S,5S)-5-(benzenesulfonyl)-4-hex-1-ynyl-5-(2-phenylethynyl)-3,4-dihydropyrazole Traditional Name: (3S,4S)-3-besyl-4-hex-1-ynyl-3-(2-phenylethynyl)-1-pyrazoline Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1CN=NC1(C#CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC#C[C@H]1CN=N[C@]1(C#CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O2S/c1-2-3-4-9-14-21-19-24-25-23(21,18-17-20-12-7-5-8-13-20)28(26,27)22-15-10-6-11-16-22/h5-8,10-13,15-16,21H,2-4,19H2,1H3/t21-,23+/m0/s1