3-[(1,3-benzodioxol-5-ylcarbonylamino)sulfamoyl]-4-methyl-benzoate

Systemtic Name: 3-[(1,3-benzodioxol-5-ylcarbonylamino)sulfamoyl]-4-methyl-benzoate Openeye Name: 3-[(1,3-benzodioxole-5-carbonylamino)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]sulfamoyl]-4-methylbenzoate IUPAC Name: 3-[(1,3-benzodioxole-5-carbonylamino)sulfamoyl]-4-methylbenzoate Traditional Name: 4-methyl-3-[(piperonyloylamino)sulfamoyl]benzoate Formula: C16H13N2O7S- MolecularWeight: 377.34862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H14N2O7S/c1-9-2-3-11(16(20)21)7-14(9)26(22,23)18-17-15(19)10-4-5-12-13(6-10)25-8-24-12/h2-7,18H,8H2,1H3,(H,17,19)(H,20,21)/p-1