[4-(azepan-1-ylsulfonyl)phenyl]-(2-methylsulfanylbenzimidazol-1-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-(2-methylsulfanylbenzimidazol-1-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-(2-methylsulfanylbenzimidazol-1-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[2-(methylthio)-1-benzimidazolyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-(2-methylsulfanylbenzimidazol-1-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[2-(methylthio)benzimidazol-1-yl]methanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CSC1=NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O3S2/c1-28-21-22-18-8-4-5-9-19(18)24(21)20(25)16-10-12-17(13-11-16)29(26,27)23-14-6-2-3-7-15-23/h4-5,8-13H,2-3,6-7,14-15H2,1H3