3-methylbutyl 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: 3-methylbutyl 2-methyl-5-sulfamoyl-benzoate Openeye Name: isopentyl 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid isoamyl ester Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCCC(C)C

InChI

InChI=1S/C13H19NO4S/c1-9(2)6-7-18-13(15)12-8-11(19(14,16)17)5-4-10(12)3/h4-5,8-9H,6-7H2,1-3H3,(H2,14,16,17)