methyl 2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-5-nitro-benzoate Openeye Name: methyl 2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-5-nitro-benzoate CAS Name: 2-[2-[(2,6-dimethyl-4-morpholinyl)sulfonyl]ethylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-5-nitrobenzoate Traditional Name: 2-[2-(2,6-dimethylmorpholino)sulfonylethylamino]-5-nitro-benzoic acid methyl ester Formula: C16H23N3O7S MolecularWeight: 401.43472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H23N3O7S/c1-11-9-18(10-12(2)26-11)27(23,24)7-6-17-15-5-4-13(19(21)22)8-14(15)16(20)25-3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3