2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholin-4-ylsulfonyl-N-pentyl-benzamide

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholin-4-ylsulfonyl-N-pentyl-benzamide Openeye Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholinosulfonyl-N-pentyl-benzamide CAS Name: 2-[(2,3-dimethoxyphenyl)methylthio]-5-(4-morpholinylsulfonyl)-N-pentylbenzamide IUPAC Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-5-morpholin-4-ylsulfonyl-N-pentylbenzamide Traditional Name: N-amyl-5-morpholinosulfonyl-2-(o-veratrylthio)benzamide Formula: C25H34N2O6S2 MolecularWeight: 522.67726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)SCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCCCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)SCC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C25H34N2O6S2/c1-4-5-6-12-26-25(28)21-17-20(35(29,30)27-13-15-33-16-14-27)10-11-23(21)34-18-19-8-7-9-22(31-2)24(19)32-3/h7-11,17H,4-6,12-16,18H2,1-3H3,(H,26,28)