3-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]benzaldehyde

Systemtic Name: 3-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]benzaldehyde Openeye Name: 3-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenoxy]benzaldehyde CAS Name: 3-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenoxy]benzaldehyde IUPAC Name: 3-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenoxy]benzaldehyde Traditional Name: 3-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenoxy]benzaldehyde Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC(=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC(=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-14-7-9-20(10-8-14)28(25,26)17-5-6-19(18(12-17)21(23)24)27-16-4-2-3-15(11-16)13-22/h2-6,11-14H,7-10H2,1H3