3-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]sulfonylamino]propanoate

Systemtic Name: 3-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]sulfonylamino]propanoate Openeye Name: 3-[[4-(4-methyl-1-piperidyl)-3-nitro-phenyl]sulfonylamino]propanoate CAS Name: 3-[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]sulfonylamino]propanoate IUPAC Name: 3-[[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]sulfonylamino]propanoate Traditional Name: 3-[[4-(4-methylpiperidino)-3-nitro-phenyl]sulfonylamino]propionate Formula: C15H20N3O6S- MolecularWeight: 370.4008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O6S/c1-11-5-8-17(9-6-11)13-3-2-12(10-14(13)18(21)22)25(23,24)16-7-4-15(19)20/h2-3,10-11,16H,4-9H2,1H3,(H,19,20)/p-1