dimethyl 5-[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(6-morpholinosulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(6-morpholinosulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23N5O9S MolecularWeight: 533.51112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2)C(=O)OC

InChI

InChI=1S/C22H23N5O9S/c1-33-21(29)14-9-15(22(30)34-2)11-16(10-14)23-20(28)13-36-27-19-12-17(3-4-18(19)24-25-27)37(31,32)26-5-7-35-8-6-26/h3-4,9-12H,5-8,13H2,1-2H3,(H,23,28)