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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-4-pyrrolidinosulfonyl-benzamide Formula: C25H23N3O5S2 MolecularWeight: 509.59722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23N3O5S2/c1-16-20(14-26)25(34-23(16)13-17-4-9-21-22(12-17)33-15-32-21)27-24(29)18-5-7-19(8-6-18)35(30,31)28-10-2-3-11-28/h4-9,12H,2-3,10-11,13,15H2,1H3,(H,27,29)