1,3-benzothiazol-2-ylmethyl 3-[(4-butylphenyl)sulfamoyl]benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-butylphenyl)sulfamoyl]benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-butylphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-butylphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H24N2O4S2 MolecularWeight: 480.59906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H24N2O4S2/c1-2-3-7-18-12-14-20(15-13-18)27-33(29,30)21-9-6-8-19(16-21)25(28)31-17-24-26-22-10-4-5-11-23(22)32-24/h4-6,8-16,27H,2-3,7,17H2,1H3