(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-[(4-butylphenyl)sulfamoyl]benzoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-[(4-butylphenyl)sulfamoyl]benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 3-[(4-butylphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 3-[(4-butylphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C22H27N5O4S MolecularWeight: 457.54588

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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=NN=NN3CCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NN=NN3CCC

InChI

InChI=1S/C22H27N5O4S/c1-3-5-7-17-10-12-19(13-11-17)24-32(29,30)20-9-6-8-18(15-20)22(28)31-16-21-23-25-26-27(21)14-4-2/h6,8-13,15,24H,3-5,7,14,16H2,1-2H3