4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-benzylsulfonylpiperazin-1-yl)butan-1-one CAS Name: 4-(1H-benzimidazol-2-ylthio)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-benzylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 4-(1H-benzimidazol-2-ylthio)-1-(4-benzylsulfonylpiperazino)butan-1-one Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3N2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3N2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3S2/c27-21(11-6-16-30-22-23-19-9-4-5-10-20(19)24-22)25-12-14-26(15-13-25)31(28,29)17-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,23,24)