3-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)benzaldehyde

Systemtic Name: 3-(2-nitro-4-piperidin-1-ylsulfonyl-phenoxy)benzaldehyde Openeye Name: 3-[2-nitro-4-(1-piperidylsulfonyl)phenoxy]benzaldehyde CAS Name: 3-[2-nitro-4-(1-piperidinylsulfonyl)phenoxy]benzaldehyde IUPAC Name: 3-(2-nitro-4-piperidin-1-ylsulfonylphenoxy)benzaldehyde Traditional Name: 3-(2-nitro-4-piperidinosulfonyl-phenoxy)benzaldehyde Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC(=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC(=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c21-13-14-5-4-6-15(11-14)26-18-8-7-16(12-17(18)20(22)23)27(24,25)19-9-2-1-3-10-19/h4-8,11-13H,1-3,9-10H2