[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C20H23N3O8S2 MolecularWeight: 497.54192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O8S2/c1-2-30-15-5-6-16(17(12-15)23(26)27)21-18(24)13-31-20(25)14-7-9-22(10-8-14)33(28,29)19-4-3-11-32-19/h3-6,11-12,14H,2,7-10,13H2,1H3,(H,21,24)