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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(2-furylmethylsulfanyl)ethyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[2-(2-furanylmethylthio)ethyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(2-furfurylthio)ethyl]benzamide Formula: C20H25ClN2O4S2 MolecularWeight: 457.0065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C20H25ClN2O4S2/c21-19-8-7-17(29(25,26)23-10-3-1-2-4-11-23)14-18(19)20(24)22-9-13-28-15-16-6-5-12-27-16/h5-8,12,14H,1-4,9-11,13,15H2,(H,22,24)