1-[(4-nitro-1H-benzimidazol-2-yl)sulfonyl]azepan-2-one

Systemtic Name: 1-[(4-nitro-1H-benzimidazol-2-yl)sulfonyl]azepan-2-one Openeye Name: 1-[(4-nitro-1H-benzimidazol-2-yl)sulfonyl]azepan-2-one CAS Name: 1-[(4-nitro-1H-benzimidazol-2-yl)sulfonyl]-2-azepanone IUPAC Name: 1-[(4-nitro-1H-benzimidazol-2-yl)sulfonyl]azepan-2-one Traditional Name: 1-[(4-nitro-1H-benzimidazol-2-yl)sulfonyl]azepan-2-one Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)S(=O)(=O)C2=NC3=C(N2)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)N(CC1)S(=O)(=O)C2=NC3=C(N2)C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O5S/c18-11-7-2-1-3-8-16(11)23(21,22)13-14-9-5-4-6-10(17(19)20)12(9)15-13/h4-6H,1-3,7-8H2,(H,14,15)