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

Systemtic Name: methyl 4-phenyl-2-propyl-5-sulfamoyl-benzoate Openeye Name: methyl 4-phenyl-2-propyl-5-sulfamoyl-benzoate CAS Name: 4-phenyl-2-propyl-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-phenyl-2-propyl-5-sulfamoylbenzoate Traditional Name: 4-phenyl-2-propyl-5-sulfamoyl-benzoic acid methyl ester Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)N)C(=O)OC

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)N)C(=O)OC

InChI

InChI=1S/C17H19NO4S/c1-3-7-13-10-14(12-8-5-4-6-9-12)16(23(18,20)21)11-15(13)17(19)22-2/h4-6,8-11H,3,7H2,1-2H3,(H2,18,20,21)