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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-methyl-3-sulfamoyl-benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 4-methyl-3-sulfamoyl-benzoate CAS Name: 4-methyl-3-sulfamoylbenzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 4-methyl-3-sulfamoylbenzoate Traditional Name: 4-methyl-3-sulfamoyl-benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C13H17N5O4S MolecularWeight: 339.37018

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N

InChI

InChI=1S/C13H17N5O4S/c1-3-6-18-12(15-16-17-18)8-22-13(19)10-5-4-9(2)11(7-10)23(14,20)21/h4-5,7H,3,6,8H2,1-2H3,(H2,14,20,21)