3-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 3-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-[(piperonyloylamino)carbamoyl]-N-propargyl-benzenesulfonamide Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H15N3O6S/c1-2-8-19-28(24,25)14-5-3-4-12(9-14)17(22)20-21-18(23)13-6-7-15-16(10-13)27-11-26-15/h1,3-7,9-10,19H,8,11H2,(H,20,22)(H,21,23)