3-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]benzaldehyde

Systemtic Name: 3-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]benzaldehyde Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-(4-besylpiperazino)-3-nitro-benzaldehyde Formula: C17H17N3O5S MolecularWeight: 375.39898

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5S/c21-13-14-6-7-16(17(12-14)20(22)23)18-8-10-19(11-9-18)26(24,25)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2