4-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)butanamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)butanamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]butanamide CAS Name: 4-(1H-benzimidazol-2-ylthio)-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(1H-benzimidazol-2-ylthio)-N-(4-methoxy-3-piperidinosulfonyl-phenyl)butyramide Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3N2)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3N2)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H28N4O4S2/c1-31-20-12-11-17(16-21(20)33(29,30)27-13-5-2-6-14-27)24-22(28)10-7-15-32-23-25-18-8-3-4-9-19(18)26-23/h3-4,8-9,11-12,16H,2,5-7,10,13-15H2,1H3,(H,24,28)(H,25,26)