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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-4-piperidinosulfonyl-benzamide Formula: C26H25N3O5S2 MolecularWeight: 523.6238

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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)N3CCCCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H25N3O5S2/c1-17-21(15-27)26(35-24(17)14-18-5-10-22-23(13-18)34-16-33-22)28-25(30)19-6-8-20(9-7-19)36(31,32)29-11-3-2-4-12-29/h5-10,13H,2-4,11-12,14,16H2,1H3,(H,28,30)