(4S,5R)-4-(3,3-dimethylbut-1-ynyl)-5-phenethyl-5-(phenylsulfonyl)-3,4-dihydropyrazole

Systemtic Name: (4S,5R)-4-(3,3-dimethylbut-1-ynyl)-5-phenethyl-5-(phenylsulfonyl)-3,4-dihydropyrazole Openeye Name: (4S,5R)-5-(benzenesulfonyl)-4-(3,3-dimethylbut-1-ynyl)-5-phenethyl-3,4-dihydropyrazole CAS Name: (4S,5R)-5-(benzenesulfonyl)-4-(3,3-dimethylbut-1-ynyl)-5-phenethyl-3,4-dihydropyrazole IUPAC Name: (4S,5R)-5-(benzenesulfonyl)-4-(3,3-dimethylbut-1-ynyl)-5-phenethyl-3,4-dihydropyrazole Traditional Name: (3R,4S)-3-besyl-4-(3,3-dimethylbut-1-ynyl)-3-phenethyl-1-pyrazoline Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1CN=NC1(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C#C[C@H]1CN=N[C@]1(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H26N2O2S/c1-22(2,3)16-15-20-18-24-25-23(20,17-14-19-10-6-4-7-11-19)28(26,27)21-12-8-5-9-13-21/h4-13,20H,14,17-18H2,1-3H3/t20-,23+/m0/s1