methyl 4-[[(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)amino]methyl]benzoate Openeye Name: methyl 4-[(2-morpholinosulfonyl-4-nitro-anilino)methyl]benzoate CAS Name: 4-[[2-(4-morpholinylsulfonyl)-4-nitroanilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-morpholin-4-ylsulfonyl-4-nitroanilino)methyl]benzoate Traditional Name: 4-[(2-morpholinosulfonyl-4-nitro-anilino)methyl]benzoic acid methyl ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

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