(3-methyl-4-propan-2-yl-phenyl) 3-[butyl(phenyl)sulfamoyl]benzoate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 3-[butyl(phenyl)sulfamoyl]benzoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 3-[butyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 3-[butyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC(=C(C=C3)C(C)C)C

Isomeric SMILES

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC(=C(C=C3)C(C)C)C

InChI

InChI=1S/C27H31NO4S/c1-5-6-17-28(23-12-8-7-9-13-23)33(30,31)25-14-10-11-22(19-25)27(29)32-24-15-16-26(20(2)3)21(4)18-24/h7-16,18-20H,5-6,17H2,1-4H3