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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-indolin-1-ylsulfonyl-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-4-indolin-1-ylsulfonyl-benzamide Formula: C29H23N3O5S2 MolecularWeight: 557.64002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H23N3O5S2/c1-18-23(16-30)29(38-27(18)15-19-6-11-25-26(14-19)37-17-36-25)31-28(33)21-7-9-22(10-8-21)39(34,35)32-13-12-20-4-2-3-5-24(20)32/h2-11,14H,12-13,15,17H2,1H3,(H,31,33)