methyl 2-butyl-4-phenyl-5-sulfamoyl-benzoate

Systemtic Name: methyl 2-butyl-4-phenyl-5-sulfamoyl-benzoate Openeye Name: methyl 2-butyl-4-phenyl-5-sulfamoyl-benzoate CAS Name: 2-butyl-4-phenyl-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 2-butyl-4-phenyl-5-sulfamoylbenzoate Traditional Name: 2-butyl-4-phenyl-5-sulfamoyl-benzoic acid methyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)N)C(=O)OC

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)N)C(=O)OC

InChI

InChI=1S/C18H21NO4S/c1-3-4-8-14-11-15(13-9-6-5-7-10-13)17(24(19,21)22)12-16(14)18(20)23-2/h5-7,9-12H,3-4,8H2,1-2H3,(H2,19,21,22)