5-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-methyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-[(4-chlorophenyl)methylthio]ethyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzyl)thio]ethyl]-2-methyl-benzamide Formula: C23H29ClN2O3S2 MolecularWeight: 481.07096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN2O3S2/c1-18-6-11-21(31(28,29)26-13-4-2-3-5-14-26)16-22(18)23(27)25-12-15-30-17-19-7-9-20(24)10-8-19/h6-11,16H,2-5,12-15,17H2,1H3,(H,25,27)