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

Systemtic Name: 3-nitro-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]benzaldehyde Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)-3-nitro-benzaldehyde CAS Name: 3-nitro-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]benzaldehyde IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-3-nitrobenzaldehyde Traditional Name: 4-(4-benzylsulfonylpiperazino)-3-nitro-benzaldehyde Formula: C18H19N3O5S MolecularWeight: 389.42556

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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)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O5S/c22-13-16-6-7-17(18(12-16)21(23)24)19-8-10-20(11-9-19)27(25,26)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2