N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(p-tolylsulfonylamino)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-piperonyl-3-(tosylamino)propionamide Formula: C18H20N2O5S MolecularWeight: 376.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O5S/c1-13-2-5-15(6-3-13)26(22,23)20-9-8-18(21)19-11-14-4-7-16-17(10-14)25-12-24-16/h2-7,10,20H,8-9,11-12H2,1H3,(H,19,21)