3-nitro-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzaldehyde

Systemtic Name: 3-nitro-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzaldehyde Openeye Name: 4-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzaldehyde CAS Name: 3-nitro-4-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]benzaldehyde IUPAC Name: 3-nitro-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]benzaldehyde Traditional Name: 3-nitro-4-(4-p-cumenylsulfonylpiperazino)benzaldehyde Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-15(2)17-4-6-18(7-5-17)29(27,28)22-11-9-21(10-12-22)19-8-3-16(14-24)13-20(19)23(25)26/h3-8,13-15H,9-12H2,1-2H3