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

Systemtic Name: 3-nitro-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]benzamide Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)-3-nitro-benzamide CAS Name: 3-nitro-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]benzamide IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: 4-(4-benzylsulfonylpiperazino)-3-nitro-benzamide Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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