1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-5,6-dimethyl-benzimidazole

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-5,6-dimethyl-benzimidazole Openeye Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-5,6-dimethyl-benzimidazole CAS Name: 1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-5,6-dimethylbenzimidazole IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-5,6-dimethylbenzimidazole Traditional Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-5,6-dimethyl-benzimidazole Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-15-11-18-20(12-16(15)2)24(14-22-18)19-8-7-17(13-21(19)25(26)27)30(28,29)23-9-5-3-4-6-10-23/h7-8,11-14H,3-6,9-10H2,1-2H3