5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[2-[(3-chlorophenyl)methylthio]ethyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-[(3-chlorobenzyl)thio]ethyl]benzamide Formula: C22H26Cl2N2O3S2 MolecularWeight: 501.48944

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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=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H26Cl2N2O3S2/c23-18-7-5-6-17(14-18)16-30-13-10-25-22(27)20-15-19(8-9-21(20)24)31(28,29)26-11-3-1-2-4-12-26/h5-9,14-15H,1-4,10-13,16H2,(H,25,27)