N-methyl-2-nitro-N-[4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]benzenesulfonamide

Systemtic Name: N-methyl-2-nitro-N-[4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]benzenesulfonamide Openeye Name: N-methyl-2-nitro-N-[4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]benzenesulfonamide CAS Name: N-methyl-2-nitro-N-[4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]benzenesulfonamide IUPAC Name: N-methyl-2-nitro-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide Traditional Name: N-[4-(2-keto-2-piperidino-ethoxy)phenyl]-N-methyl-2-nitro-benzenesulfonamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OCC(=O)N2CCCCC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=C(C=C1)OCC(=O)N2CCCCC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-21(30(27,28)19-8-4-3-7-18(19)23(25)26)16-9-11-17(12-10-16)29-15-20(24)22-13-5-2-6-14-22/h3-4,7-12H,2,5-6,13-15H2,1H3