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

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H18ClN3O7S2 MolecularWeight: 487.93442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H18ClN3O7S2/c19-13-3-4-14(15(10-13)22(25)26)20-16(23)11-29-18(24)12-5-7-21(8-6-12)31(27,28)17-2-1-9-30-17/h1-4,9-10,12H,5-8,11H2,(H,20,23)