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

Systemtic Name: 3-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]benzamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: 4-(4-besylpiperazino)-3-nitro-benzamide Formula: C17H18N4O5S MolecularWeight: 390.41362

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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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O5S/c18-17(22)13-6-7-15(16(12-13)21(23)24)19-8-10-20(11-9-19)27(25,26)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H2,18,22)