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

Systemtic Name: 2-(2-methylphenoxy)ethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: 2-(2-methylphenoxy)ethyl 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetic acid 2-(2-methylphenoxy)ethyl ester IUPAC Name: 2-(2-methylphenoxy)ethyl 2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(methylamino)-3-nitro-phenyl]sulfonylamino]acetic acid 2-(2-methylphenoxy)ethyl ester Formula: C18H21N3O7S MolecularWeight: 423.44024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCOC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCOC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O7S/c1-13-5-3-4-6-17(13)27-9-10-28-18(22)12-20-29(25,26)14-7-8-15(19-2)16(11-14)21(23)24/h3-8,11,19-20H,9-10,12H2,1-2H3