3-nitro-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzaldehyde

Systemtic Name: 3-nitro-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzaldehyde Openeye Name: 3-nitro-4-[4-(2-thienylsulfonyl)piperazin-1-yl]benzaldehyde CAS Name: 3-nitro-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)benzaldehyde IUPAC Name: 3-nitro-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzaldehyde Traditional Name: 3-nitro-4-[4-(2-thienylsulfonyl)piperazino]benzaldehyde Formula: C15H15N3O5S2 MolecularWeight: 381.4267

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H15N3O5S2/c19-11-12-3-4-13(14(10-12)18(20)21)16-5-7-17(8-6-16)25(22,23)15-2-1-9-24-15/h1-4,9-11H,5-8H2