(phenylmethyl) 3-[[4-(butylcarbamoylsulfamoyl)phenyl]amino]-3-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-[[4-(butylcarbamoylsulfamoyl)phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: benzyl 3-[4-(butylcarbamoylsulfamoyl)anilino]-3-oxo-propanoate CAS Name: 3-[4-[[butylamino(oxo)methyl]sulfamoyl]anilino]-3-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-(butylcarbamoylsulfamoyl)anilino]-3-oxopropanoate Traditional Name: 3-[4-(butylcarbamoylsulfamoyl)anilino]-3-keto-propionic acid benzyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O6S/c1-2-3-13-22-21(27)24-31(28,29)18-11-9-17(10-12-18)23-19(25)14-20(26)30-15-16-7-5-4-6-8-16/h4-12H,2-3,13-15H2,1H3,(H,23,25)(H2,22,24,27)