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

Systemtic Name: (6E)-6-[[[4-(azepan-1-ylsulfonyl)phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[4-(1-azepanylsulfonyl)anilino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[4-(azepan-1-ylsulfonyl)anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[4-(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=C(C=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N/C=C/3\C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c23-19-10-7-17(22(24)25)13-15(19)14-20-16-5-8-18(9-6-16)28(26,27)21-11-3-1-2-4-12-21/h5-10,13-14,20H,1-4,11-12H2/b15-14+