(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate Traditional Name: 2-(veratroylamino)acetic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H26N2O8S MolecularWeight: 478.51544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)OC

InChI

InChI=1S/C22H26N2O8S/c1-29-19-7-6-17(13-20(19)30-2)22(26)23-14-21(25)32-15-16-4-3-5-18(12-16)33(27,28)24-8-10-31-11-9-24/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26)