1,3-benzothiazol-2-ylmethyl 2-[[3-(diethylsulfamoyl)phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[[3-(diethylsulfamoyl)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methyl-butanoate CAS Name: 2-[[[3-(diethylsulfamoyl)phenyl]-oxomethyl]amino]-3-methylbutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylbutanoate Traditional Name: 2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methyl-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C24H29N3O5S2 MolecularWeight: 503.63416

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C24H29N3O5S2/c1-5-27(6-2)34(30,31)18-11-9-10-17(14-18)23(28)26-22(16(3)4)24(29)32-15-21-25-19-12-7-8-13-20(19)33-21/h7-14,16,22H,5-6,15H2,1-4H3,(H,26,28)