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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-14-3-2-10-20(12-14)28(25,26)17-8-9-19(18(11-17)21(23)24)27-16-6-4-15(13-22)5-7-16/h4-9,11,13-14H,2-3,10,12H2,1H3