(2-nitrophenyl)methyl 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate

Systemtic Name: (2-nitrophenyl)methyl 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate Openeye Name: (2-nitrophenyl)methyl 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate CAS Name: 4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoic acid (2-nitrobenzyl) ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN2O7S/c1-13-10-22(11-14(2)30-13)31(27,28)19-9-15(7-8-17(19)21)20(24)29-12-16-5-3-4-6-18(16)23(25)26/h3-9,13-14H,10-12H2,1-2H3