2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide CAS Name: 2-[(1-methyl-2-benzimidazolyl)thio]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[(1-methylbenzimidazol-2-yl)thio]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=NCCCCC4

InChI

InChI=1S/C22H25N5O3S2/c1-27-19-11-5-4-10-18(19)25-22(27)31-15-21(28)24-16-8-7-9-17(14-16)32(29,30)26-20-12-3-2-6-13-23-20/h4-5,7-11,14H,2-3,6,12-13,15H2,1H3,(H,23,26)(H,24,28)