5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[2-[(2-fluorophenyl)methylthio]ethyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-[(2-fluorobenzyl)thio]ethyl]benzamide Formula: C22H26ClFN2O3S2 MolecularWeight: 485.034843

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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=CC=C3F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCSCC3=CC=CC=C3F

InChI

InChI=1S/C22H26ClFN2O3S2/c23-20-10-9-18(31(28,29)26-12-5-1-2-6-13-26)15-19(20)22(27)25-11-14-30-16-17-7-3-4-8-21(17)24/h3-4,7-10,15H,1-2,5-6,11-14,16H2,(H,25,27)