2-(4-bromanylphenoxy)ethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: 2-(4-bromophenoxy)ethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid 2-(4-bromophenoxy)ethyl ester Formula: C17H18BrN3O7S MolecularWeight: 488.30972

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCCOC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCCOC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H18BrN3O7S/c1-19-15-7-6-14(10-16(15)21(23)24)29(25,26)20-11-17(22)28-9-8-27-13-4-2-12(18)3-5-13/h2-7,10,19-20H,8-9,11H2,1H3