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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)benzamide Formula: C27H27N3O5S2 MolecularWeight: 537.65038

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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)N3CCCCCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H27N3O5S2/c1-18-22(16-28)27(36-25(18)15-19-6-11-23-24(14-19)35-17-34-23)29-26(31)20-7-9-21(10-8-20)37(32,33)30-12-4-2-3-5-13-30/h6-11,14H,2-5,12-13,15,17H2,1H3,(H,29,31)