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

Systemtic Name: N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(4-nitroimidazol-1-yl)ethanamide Openeye Name: N-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-2-(4-nitro-1-imidazolyl)acetamide IUPAC Name: N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-(4-chloro-3-piperidinosulfonyl-phenyl)-2-(4-nitroimidazol-1-yl)acetamide Formula: C16H18ClN5O5S MolecularWeight: 427.86262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H18ClN5O5S/c17-13-5-4-12(8-14(13)28(26,27)21-6-2-1-3-7-21)19-16(23)10-20-9-15(18-11-20)22(24)25/h4-5,8-9,11H,1-3,6-7,10H2,(H,19,23)