N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-nitroimidazol-1-yl)ethanamide

Systemtic Name: N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-nitroimidazol-1-yl)ethanamide Openeye Name: N-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-2-(4-nitro-1-imidazolyl)acetamide IUPAC Name: N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-[4-(3,5-dimethylpiperidino)sulfonylphenyl]-2-(4-nitroimidazol-1-yl)acetamide Formula: C18H23N5O5S MolecularWeight: 421.47072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H23N5O5S/c1-13-7-14(2)9-22(8-13)29(27,28)16-5-3-15(4-6-16)20-18(24)11-21-10-17(19-12-21)23(25)26/h3-6,10,12-14H,7-9,11H2,1-2H3,(H,20,24)