(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C28H28N2O4S2 MolecularWeight: 520.66292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H28N2O4S2/c1-3-4-8-21-12-15-24(16-13-21)30-36(32,33)26-17-23(14-11-20(26)2)28(31)34-18-25-19-35-27(29-25)22-9-6-5-7-10-22/h5-7,9-17,19,30H,3-4,8,18H2,1-2H3