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

Systemtic Name: 6-[[[3-(azepan-1-ylsulfonyl)phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(azepan-1-ylsulfonyl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(1-azepanylsulfonyl)anilino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(azepan-1-ylsulfonyl)anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-(azepan-1-ylsulfonyl)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:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c23-19-9-8-17(22(24)25)12-15(19)14-20-16-6-5-7-18(13-16)28(26,27)21-10-3-1-2-4-11-21/h5-9,12-14,20H,1-4,10-11H2