[2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(4-chloro-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[4-chloro-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(4-chloro-3-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C23H25ClN4O8S MolecularWeight: 552.9846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H25ClN4O8S/c24-18-5-4-17(14-21(18)37(33,34)27-9-11-35-12-10-27)25-22(29)15-36-23(30)16-3-6-19(20(13-16)28(31)32)26-7-1-2-8-26/h3-6,13-14H,1-2,7-12,15H2,(H,25,29)