6-[[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-methyl-3-(1-piperidylsulfonyl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-methyl-3-(1-piperidinylsulfonyl)anilino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(4-methyl-3-piperidin-1-ylsulfonylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[(4-methyl-3-piperidinosulfonyl-anilino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

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