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

Systemtic Name: 3-nitro-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[(4-besylpiperazino)methyl]-3-nitro-benzamide Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O5S/c19-18(23)14-6-7-15(17(12-14)22(24)25)13-20-8-10-21(11-9-20)28(26,27)16-4-2-1-3-5-16/h1-7,12H,8-11,13H2,(H2,19,23)