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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]benzimidazole Openeye Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]benzimidazole CAS Name: 1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]benzimidazole IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]benzimidazole Traditional Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]benzimidazole Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C=NC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c24-23(25)19-13-15(28(26,27)21-11-5-1-2-6-12-21)9-10-18(19)22-14-20-16-7-3-4-8-17(16)22/h3-4,7-10,13-14H,1-2,5-6,11-12H2