N-(1,3-benzodioxol-4-ylmethyl)-N-but-3-enyl-2-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-N-but-3-enyl-2-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-N-but-3-enyl-2-nitro-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-N-but-3-enyl-2-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-N-but-3-enyl-2-nitrobenzenesulfonamide Traditional Name: N-(1,3-benzodioxol-4-ylmethyl)-N-but-3-enyl-2-nitro-benzenesulfonamide Formula: C18H18N2O6S MolecularWeight: 390.41032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCN(CC1=C2C(=CC=C1)OCO2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C=CCCN(CC1=C2C(=CC=C1)OCO2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c1-2-3-11-19(12-14-7-6-9-16-18(14)26-13-25-16)27(23,24)17-10-5-4-8-15(17)20(21)22/h2,4-10H,1,3,11-13H2