[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H20N4O7S2 MolecularWeight: 492.5254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H20N4O7S2/c21-12-14-10-15(24(27)28)4-6-17(14)22-18(25)13-31-19(26)11-16-5-7-20(32-16)33(29,30)23-8-2-1-3-9-23/h4-7,10H,1-3,8-9,11,13H2,(H,22,25)