N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-nitroimidazol-1-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-nitroimidazol-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(4-nitro-1-imidazolyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-nitroimidazol-1-yl)acetamide Formula: C18H23N5O6S MolecularWeight: 437.47012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O6S/c1-29-16-7-6-14(30(27,28)22-8-4-2-3-5-9-22)10-15(16)20-18(24)12-21-11-17(19-13-21)23(25)26/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,20,24)