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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-4-morpholinosulfonyl-benzamide Formula: C25H23N3O6S2 MolecularWeight: 525.59662

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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)N3CCOCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23N3O6S2/c1-16-20(14-26)25(35-23(16)13-17-2-7-21-22(12-17)34-15-33-21)27-24(29)18-3-5-19(6-4-18)36(30,31)28-8-10-32-11-9-28/h2-7,12H,8-11,13,15H2,1H3,(H,27,29)