5-(azepan-1-ylsulfonyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[2-(2-furylmethylsulfanyl)ethyl]-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-(2-furanylmethylthio)ethyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-(2-furfurylthio)ethyl]-2-methyl-benzamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C21H28N2O4S2/c1-17-8-9-19(29(25,26)23-11-4-2-3-5-12-23)15-20(17)21(24)22-10-14-28-16-18-7-6-13-27-18/h6-9,13,15H,2-5,10-12,14,16H2,1H3,(H,22,24)