5-(azepan-1-ylsulfonyl)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-methyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-[(3,4-dichlorophenyl)methylthio]ethyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-[(3,4-dichlorobenzyl)thio]ethyl]-2-methyl-benzamide Formula: C23H28Cl2N2O3S2 MolecularWeight: 515.51602

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H28Cl2N2O3S2/c1-17-6-8-19(32(29,30)27-11-4-2-3-5-12-27)15-20(17)23(28)26-10-13-31-16-18-7-9-21(24)22(25)14-18/h6-9,14-15H,2-5,10-13,16H2,1H3,(H,26,28)