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

Systemtic Name: 3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]benzaldehyde Openeye Name: 3-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenoxy]benzaldehyde CAS Name: 3-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenoxy]benzaldehyde IUPAC Name: 3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenoxy]benzaldehyde Traditional Name: 3-[4-[(3S)-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=CC(=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC(=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-14-4-3-9-20(12-14)28(25,26)17-7-8-19(18(11-17)21(23)24)27-16-6-2-5-15(10-16)13-22/h2,5-8,10-11,13-14H,3-4,9,12H2,1H3/t14-/m0/s1