1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-2-methyl-benzimidazole

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-2-methyl-benzimidazole Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-2-methyl-benzimidazole CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]sulfonyl-2-methylbenzimidazole IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-2-methylbenzimidazole Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-2-methyl-benzimidazole Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H23N3O4S2/c1-16-21-19-8-4-5-9-20(19)23(16)29(26,27)18-12-10-17(11-13-18)28(24,25)22-14-6-2-3-7-15-22/h4-5,8-13H,2-3,6-7,14-15H2,1H3