[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O8S/c26-13-10-23-20-9-6-17(25(29)30)14-19(20)22(28)33-15-21(27)16-4-7-18(8-5-16)34(31,32)24-11-2-1-3-12-24/h4-9,14,23,26H,1-3,10-13,15H2