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

Systemtic Name: 3-methoxy-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenoxy]benzaldehyde Openeye Name: 3-methoxy-4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenoxy]benzaldehyde CAS Name: 3-methoxy-4-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenoxy]benzaldehyde IUPAC Name: 3-methoxy-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenoxy]benzaldehyde Traditional Name: 3-methoxy-4-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenoxy]benzaldehyde Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-14-4-3-9-21(12-14)30(26,27)16-6-8-18(17(11-16)22(24)25)29-19-7-5-15(13-23)10-20(19)28-2/h5-8,10-11,13-14H,3-4,9,12H2,1-2H3/t14-/m0/s1