3-nitro-4-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]benzaldehyde

Systemtic Name: 3-nitro-4-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]benzaldehyde Openeye Name: 3-nitro-4-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]benzaldehyde CAS Name: 3-nitro-4-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]benzaldehyde IUPAC Name: 3-nitro-4-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]benzaldehyde Traditional Name: 3-nitro-4-[4-(4-propylphenyl)sulfonylpiperazino]benzaldehyde Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-2-3-16-4-7-18(8-5-16)29(27,28)22-12-10-21(11-13-22)19-9-6-17(15-24)14-20(19)23(25)26/h4-9,14-15H,2-3,10-13H2,1H3