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

Systemtic Name: N,N-diethyl-4-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(4-methyl-1-piperidyl)-2-oxo-ethoxy]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(4-methyl-1-piperidinyl)-2-oxoethoxy]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[2-keto-2-(4-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)N2CCC(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC(=O)N2CCC(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O6S/c1-4-20(5-2)28(25,26)15-6-7-17(16(12-15)21(23)24)27-13-18(22)19-10-8-14(3)9-11-19/h6-7,12,14H,4-5,8-11,13H2,1-3H3