(4-oxidanylidene-4-phenyl-butyl) 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 2-methyl-5-sulfamoyl-benzoate Openeye Name: (4-oxo-4-phenyl-butyl) 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid (4-keto-4-phenyl-butyl) ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCCCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCCCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H19NO5S/c1-13-9-10-15(25(19,22)23)12-16(13)18(21)24-11-5-8-17(20)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H2,19,22,23)