2-methyl-N-[4-methyl-3-(2-oxidanylidenepiperidin-1-yl)phenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[4-methyl-3-(2-oxidanylidenepiperidin-1-yl)phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[4-methyl-3-(2-oxo-1-piperidyl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[4-methyl-3-(2-oxo-1-piperidinyl)phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-5-nitrobenzenesulfonamide Traditional Name: N-[3-(2-ketopiperidino)-4-methyl-phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-13-6-8-15(11-17(13)21-10-4-3-5-19(21)23)20-28(26,27)18-12-16(22(24)25)9-7-14(18)2/h6-9,11-12,20H,3-5,10H2,1-2H3