3-nitro-4-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-(3-piperidinosulfonylanilino)ethyl]thio]-3-nitro-benzamide Formula: C20H22N4O6S2 MolecularWeight: 478.54188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S2/c21-20(26)14-7-8-18(17(11-14)24(27)28)31-13-19(25)22-15-5-4-6-16(12-15)32(29,30)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10,13H2,(H2,21,26)(H,22,25)