4-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 4-[(1,3-benzodioxol-5-ylcarbonylamino)carbamoyl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[(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=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

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