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

Systemtic Name: N-[4-methyl-3-(2-oxidanylidenepiperidin-1-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-methyl-3-(2-oxo-1-piperidyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-methyl-3-(2-oxo-1-piperidinyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(2-ketopiperidino)-4-methyl-phenyl]-3-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/c1-13-8-9-14(11-17(13)20-10-3-2-7-18(20)22)19-27(25,26)16-6-4-5-15(12-16)21(23)24/h4-6,8-9,11-12,19H,2-3,7,10H2,1H3