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

Systemtic Name: N-[4-methyl-3-(2-oxidanylidenepiperidin-1-yl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-methyl-3-(2-oxo-1-piperidyl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-methyl-3-(2-oxo-1-piperidinyl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-(2-ketopiperidino)-4-methyl-phenyl]-2-nitro-benzenesulfonamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-13-9-10-14(12-16(13)20-11-5-4-8-18(20)22)19-27(25,26)17-7-3-2-6-15(17)21(23)24/h2-3,6-7,9-10,12,19H,4-5,8,11H2,1H3