2-butyl-6-imidazol-1-yl-2-[4-(phenylsulfonyl)phenyl]hexanenitrile

Systemtic Name: 2-butyl-6-imidazol-1-yl-2-[4-(phenylsulfonyl)phenyl]hexanenitrile Openeye Name: 2-[4-(benzenesulfonyl)phenyl]-2-butyl-6-imidazol-1-yl-hexanenitrile CAS Name: 2-[4-(benzenesulfonyl)phenyl]-2-butyl-6-(1-imidazolyl)hexanenitrile IUPAC Name: 2-[4-(benzenesulfonyl)phenyl]-2-butyl-6-imidazol-1-ylhexanenitrile Traditional Name: 2-(4-besylphenyl)-2-butyl-6-imidazol-1-yl-hexanenitrile Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCN1C=CN=C1)(C#N)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CCCCN1C=CN=C1)(C#N)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O2S/c1-2-3-15-25(20-26,16-7-8-18-28-19-17-27-21-28)22-11-13-24(14-12-22)31(29,30)23-9-5-4-6-10-23/h4-6,9-14,17,19,21H,2-3,7-8,15-16,18H2,1H3