[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-chloranyl-5-nitro-phenyl)sulfonylamino]benzoate Openeye Name: [(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 4-[(2-chloro-5-nitro-phenyl)sulfonylamino]benzoate CAS Name: 4-[(2-chloro-5-nitrophenyl)sulfonylamino]benzoic acid [(2S)-1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-[(2-chloro-5-nitrophenyl)sulfonylamino]benzoate Traditional Name: 4-[(2-chloro-5-nitro-phenyl)sulfonylamino]benzoic acid [(1S)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H18ClN3O8S MolecularWeight: 507.90092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CO1)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H18ClN3O8S/c1-13(20(26)23-12-17-3-2-10-32-17)33-21(27)14-4-6-15(7-5-14)24-34(30,31)19-11-16(25(28)29)8-9-18(19)22/h2-11,13,24H,12H2,1H3,(H,23,26)/t13-/m0/s1