N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-(dipropylsulfamoyl)benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-(dipropylsulfamoyl)benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-(dipropylsulfamoyl)benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-(dipropylsulfamoyl)benzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-(dipropylsulfamoyl)benzamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-4-(dipropylsulfamoyl)benzamide Formula: C27H29N3O5S2 MolecularWeight: 539.66626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C#N

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)CC3=CC4=C(C=C3)OCO4)C)C#N

InChI

InChI=1S/C27H29N3O5S2/c1-4-12-30(13-5-2)37(32,33)21-9-7-20(8-10-21)26(31)29-27-22(16-28)18(3)25(36-27)15-19-6-11-23-24(14-19)35-17-34-23/h6-11,14H,4-5,12-13,15,17H2,1-3H3,(H,29,31)