N-[2-[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]-1-piperidin-4-yl-ethyl]methanesulfonamide

Systemtic Name: N-[2-[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]-1-piperidin-4-yl-ethyl]methanesulfonamide Openeye Name: N-[2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-1-(4-piperidyl)ethyl]methanesulfonamide CAS Name: N-[2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-1-(4-piperidinyl)ethyl]methanesulfonamide IUPAC Name: N-[2-(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-1-piperidin-4-ylethyl]methanesulfonamide Traditional Name: N-[2-(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)-1-(4-piperidyl)ethyl]methanesulfonamide Formula: C16H21N5O6S MolecularWeight: 411.43284

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C3CCNCC3

Isomeric SMILES

CS(=O)(=O)NC(CC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])C3CCNCC3

InChI

InChI=1S/C16H21N5O6S/c1-28(26,27)20-12(9-2-4-17-5-3-9)7-10-6-11(21(24)25)8-13-14(10)19-16(23)15(22)18-13/h6,8-9,12,17,20H,2-5,7H2,1H3,(H,18,22)(H,19,23)