N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)-2-(4-nitroimidazol-1-yl)ethanamide

Systemtic Name: N-(2-ethoxy-5-morpholin-4-ylsulfonyl-phenyl)-2-(4-nitroimidazol-1-yl)ethanamide Openeye Name: N-(2-ethoxy-5-morpholinosulfonyl-phenyl)-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-[2-ethoxy-5-(4-morpholinylsulfonyl)phenyl]-2-(4-nitro-1-imidazolyl)acetamide IUPAC Name: N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-(2-ethoxy-5-morpholinosulfonyl-phenyl)-2-(4-nitroimidazol-1-yl)acetamide Formula: C17H21N5O7S MolecularWeight: 439.44294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O7S/c1-2-29-15-4-3-13(30(26,27)21-5-7-28-8-6-21)9-14(15)19-17(23)11-20-10-16(18-12-20)22(24)25/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,19,23)