2-chloranyl-N-[(4-methylsulfanylphenyl)methyl]-5-thiomorpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[(4-methylsulfanylphenyl)methyl]-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[(4-methylsulfanylphenyl)methyl]-5-thiomorpholinosulfonyl-benzamide CAS Name: 2-chloro-N-[[4-(methylthio)phenyl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: 2-chloro-N-[(4-methylsulfanylphenyl)methyl]-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[4-(methylthio)benzyl]-5-thiomorpholinosulfonyl-benzamide Formula: C19H21ClN2O3S3 MolecularWeight: 457.02964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl

InChI

InChI=1S/C19H21ClN2O3S3/c1-26-15-4-2-14(3-5-15)13-21-19(23)17-12-16(6-7-18(17)20)28(24,25)22-8-10-27-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,21,23)