N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-nitroimidazol-1-yl)ethanamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-nitroimidazol-1-yl)ethanamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(4-nitro-1-imidazolyl)acetamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-2-(4-nitroimidazol-1-yl)acetamide Formula: C18H23N5O6S MolecularWeight: 437.47012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN2C=C(N=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN2C=C(N=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H23N5O6S/c1-2-29-15-7-6-14(10-16(15)30(27,28)22-8-4-3-5-9-22)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)