1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-5,6-dimethyl-benzimidazole

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-5,6-dimethyl-benzimidazole Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-5,6-dimethyl-benzimidazole CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]sulfonyl-5,6-dimethylbenzimidazole IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-5,6-dimethylbenzimidazole Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-5,6-dimethyl-benzimidazole Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H25N3O4S2/c1-16-13-20-21(14-17(16)2)24(15-22-20)30(27,28)19-9-7-18(8-10-19)29(25,26)23-11-5-3-4-6-12-23/h7-10,13-15H,3-6,11-12H2,1-2H3