(3-morpholin-4-ylsulfonylphenyl)methyl 2-(methylamino)-5-nitro-benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(methylamino)-5-nitro-benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H21N3O7S/c1-20-18-6-5-15(22(24)25)12-17(18)19(23)29-13-14-3-2-4-16(11-14)30(26,27)21-7-9-28-10-8-21/h2-6,11-12,20H,7-10,13H2,1H3