[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C20H20ClN3O7S MolecularWeight: 481.9067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O7S/c21-15-9-8-14(12-18(15)32(29,30)23-10-4-1-5-11-23)20(26)31-13-19(25)22-16-6-2-3-7-17(16)24(27)28/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,25)