ethyl 4-[(4-fluorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]butanoate

Systemtic Name: ethyl 4-[(4-fluorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]butanoate Openeye Name: ethyl 4-[(4-fluorophenyl)methyl-(4-nitrophenyl)sulfonyl-amino]butanoate CAS Name: 4-[(4-fluorophenyl)methyl-(4-nitrophenyl)sulfonylamino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-fluorophenyl)methyl-(4-nitrophenyl)sulfonylamino]butanoate Traditional Name: 4-[(4-fluorobenzyl)-nosyl-amino]butyric acid ethyl ester Formula: C19H21FN2O6S MolecularWeight: 424.443243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(CC1=CC=C(C=C1)F)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCN(CC1=CC=C(C=C1)F)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21FN2O6S/c1-2-28-19(23)4-3-13-21(14-15-5-7-16(20)8-6-15)29(26,27)18-11-9-17(10-12-18)22(24)25/h5-12H,2-4,13-14H2,1H3