N-[2-[(4-methyl-3-nitro-phenyl)sulfonylamino]ethyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[2-[(4-methyl-3-nitro-phenyl)sulfonylamino]ethyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[2-[(4-methyl-3-nitro-phenyl)sulfonylamino]ethyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[2-[(4-methyl-3-nitro-phenyl)sulfonylamino]ethyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C16H25N4O5S+ MolecularWeight: 385.4585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCNC(=O)C[NH+]2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCNC(=O)C[NH+]2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O5S/c1-13-5-6-14(11-15(13)20(22)23)26(24,25)18-8-7-17-16(21)12-19-9-3-2-4-10-19/h5-6,11,18H,2-4,7-10,12H2,1H3,(H,17,21)/p+1