4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-chloranyl-5-methylsulfonyl-phenyl)butanamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-chloranyl-5-methylsulfonyl-phenyl)butanamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-chloro-5-methylsulfonyl-phenyl)butanamide CAS Name: 4-(1H-benzimidazol-2-ylthio)-N-(2-chloro-5-methylsulfonylphenyl)butanamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(2-chloro-5-methylsulfonylphenyl)butanamide Traditional Name: 4-(1H-benzimidazol-2-ylthio)-N-(2-chloro-5-mesyl-phenyl)butyramide Formula: C18H18ClN3O3S2 MolecularWeight: 423.93682

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H18ClN3O3S2/c1-27(24,25)12-8-9-13(19)16(11-12)20-17(23)7-4-10-26-18-21-14-5-2-3-6-15(14)22-18/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,23)(H,21,22)