3-nitro-4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-benzamide Openeye Name: 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(4-besylpiperazino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C19H20N4O6S2 MolecularWeight: 464.5153

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O6S2/c20-19(25)14-6-7-17(16(12-14)23(26)27)30-13-18(24)21-8-10-22(11-9-21)31(28,29)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H2,20,25)