methyl 4-[2-[5-(dimethylsulfamoyl)benzotriazol-1-yl]ethylcarbamoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-(dimethylsulfamoyl)benzotriazol-1-yl]ethylcarbamoylamino]benzoate Openeye Name: methyl 4-[2-[5-(dimethylsulfamoyl)benzotriazol-1-yl]ethylcarbamoylamino]benzoate CAS Name: 4-[[[2-[5-(dimethylsulfamoyl)-1-benzotriazolyl]ethylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[5-(dimethylsulfamoyl)benzotriazol-1-yl]ethylcarbamoylamino]benzoate Traditional Name: 4-[2-[5-(dimethylsulfamoyl)benzotriazol-1-yl]ethylcarbamoylamino]benzoic acid methyl ester Formula: C19H22N6O5S MolecularWeight: 446.48018

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(N=N2)CCNC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(N=N2)CCNC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H22N6O5S/c1-24(2)31(28,29)15-8-9-17-16(12-15)22-23-25(17)11-10-20-19(27)21-14-6-4-13(5-7-14)18(26)30-3/h4-9,12H,10-11H2,1-3H3,(H2,20,21,27)