tert-butyl 3-[[6-[3-(dimethylsulfamoyl)phenyl]-1,3-benzothiazol-2-yl]carbamoylamino]propanoate

Systemtic Name: tert-butyl 3-[[6-[3-(dimethylsulfamoyl)phenyl]-1,3-benzothiazol-2-yl]carbamoylamino]propanoate Openeye Name: tert-butyl 3-[[6-[3-(dimethylsulfamoyl)phenyl]-1,3-benzothiazol-2-yl]carbamoylamino]propanoate CAS Name: 3-[[[[6-[3-(dimethylsulfamoyl)phenyl]-1,3-benzothiazol-2-yl]amino]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[6-[3-(dimethylsulfamoyl)phenyl]-1,3-benzothiazol-2-yl]carbamoylamino]propanoate Traditional Name: 3-[[6-[3-(dimethylsulfamoyl)phenyl]-1,3-benzothiazol-2-yl]carbamoylamino]propionic acid tert-butyl ester Formula: C23H28N4O5S2 MolecularWeight: 504.62222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C23H28N4O5S2/c1-23(2,3)32-20(28)11-12-24-21(29)26-22-25-18-10-9-16(14-19(18)33-22)15-7-6-8-17(13-15)34(30,31)27(4)5/h6-10,13-14H,11-12H2,1-5H3,(H2,24,25,26,29)