N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)sulfanyl-5-morpholinosulfonyl-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)thio]-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-homoveratryl-5-morpholinosulfonyl-benzamide Formula: C27H29FN2O6S2 MolecularWeight: 560.657363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)SC4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)SC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C27H29FN2O6S2/c1-34-24-9-3-19(17-25(24)35-2)11-12-29-27(31)23-18-22(38(32,33)30-13-15-36-16-14-30)8-10-26(23)37-21-6-4-20(28)5-7-21/h3-10,17-18H,11-16H2,1-2H3,(H,29,31)