methyl 6-[[4-[(3-nitrophenyl)sulfonylamino]phenyl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[4-[(3-nitrophenyl)sulfonylamino]phenyl]carbonylamino]hexanoate Openeye Name: methyl 6-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]hexanoate CAS Name: 6-[[[4-[(3-nitrophenyl)sulfonylamino]phenyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]hexanoate Traditional Name: 6-[[4-[(3-nitrophenyl)sulfonylamino]benzoyl]amino]hexanoic acid methyl ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7S/c1-30-19(24)8-3-2-4-13-21-20(25)15-9-11-16(12-10-15)22-31(28,29)18-7-5-6-17(14-18)23(26)27/h5-7,9-12,14,22H,2-4,8,13H2,1H3,(H,21,25)