6-[[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-methyl-5-(1-piperidylsulfonyl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-methyl-5-(1-piperidinylsulfonyl)anilino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(2-methyl-5-piperidin-1-ylsulfonylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[(2-methyl-5-piperidinosulfonyl-anilino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-14-5-7-17(28(26,27)21-9-3-2-4-10-21)12-18(14)20-13-15-11-16(22(24)25)6-8-19(15)23/h5-8,11-13,20H,2-4,9-10H2,1H3