2-methyl-5-nitro-N-[3-(2-oxidanylidenepiperidin-1-yl)phenyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[3-(2-oxidanylidenepiperidin-1-yl)phenyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[3-(2-oxo-1-piperidyl)phenyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[3-(2-oxo-1-piperidinyl)phenyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide Traditional Name: N-[3-(2-ketopiperidino)phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)N3CCCCC3=O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)N3CCCCC3=O

InChI

InChI=1S/C18H19N3O5S/c1-13-8-9-16(21(23)24)12-17(13)27(25,26)19-14-5-4-6-15(11-14)20-10-3-2-7-18(20)22/h4-6,8-9,11-12,19H,2-3,7,10H2,1H3