methyl 4-[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-(6-morpholinosulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzoate CAS Name: 4-[[2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzoate Traditional Name: 4-[[2-(6-morpholinosulfonylbenzotriazol-1-yl)oxyacetyl]amino]benzoic acid methyl ester Formula: C20H21N5O7S MolecularWeight: 475.47504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O7S/c1-30-20(27)14-2-4-15(5-3-14)21-19(26)13-32-25-18-12-16(6-7-17(18)22-23-25)33(28,29)24-8-10-31-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,21,26)