3-[2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanylbenzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[2-(4-besylpiperazino)-2-keto-ethyl]thio]benzimidazol-1-yl]propionitrile Formula: C22H23N5O3S2 MolecularWeight: 469.57972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3N2CCC#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3N2CCC#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O3S2/c23-11-6-12-27-20-10-5-4-9-19(20)24-22(27)31-17-21(28)25-13-15-26(16-14-25)32(29,30)18-7-2-1-3-8-18/h1-5,7-10H,6,12-17H2