N,N-diethyl-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethoxy]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethoxy]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[2-keto-2-[(2S)-2-methylpiperidino]ethoxy]-3-nitro-benzenesulfonamide Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCCC2C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCCC[C@@H]2C)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O6S/c1-4-19(5-2)28(25,26)15-9-10-17(16(12-15)21(23)24)27-13-18(22)20-11-7-6-8-14(20)3/h9-10,12,14H,4-8,11,13H2,1-3H3/t14-/m0/s1