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

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-(2-ethylsulfanylbenzimidazol-1-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-(2-ethylsulfanylbenzimidazol-1-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[2-(ethylthio)-1-benzimidazolyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-(2-ethylsulfanylbenzimidazol-1-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[2-(ethylthio)benzimidazol-1-yl]methanone Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O3S2/c1-2-29-22-23-19-9-5-6-10-20(19)25(22)21(26)17-11-13-18(14-12-17)30(27,28)24-15-7-3-4-8-16-24/h5-6,9-14H,2-4,7-8,15-16H2,1H3