4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]benzaldehyde

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]benzaldehyde Openeye Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]benzaldehyde CAS Name: 4-[4-(1-azepanylsulfonyl)-2-nitrophenoxy]benzaldehyde IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitrophenoxy]benzaldehyde Traditional Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]benzaldehyde Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c22-14-15-5-7-16(8-6-15)27-19-10-9-17(13-18(19)21(23)24)28(25,26)20-11-3-1-2-4-12-20/h5-10,13-14H,1-4,11-12H2