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

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(2-furylmethyl)-5-morpholinosulfonyl-benzamide CAS Name: 2-[(2,3-dimethoxyphenyl)methylthio]-N-(2-furanylmethyl)-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(2-furfuryl)-5-morpholinosulfonyl-2-(o-veratrylthio)benzamide Formula: C25H28N2O7S2 MolecularWeight: 532.62902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4=CC=CO4

Isomeric SMILES

COC1=CC=CC(=C1OC)CSC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C25H28N2O7S2/c1-31-22-7-3-5-18(24(22)32-2)17-35-23-9-8-20(36(29,30)27-10-13-33-14-11-27)15-21(23)25(28)26-16-19-6-4-12-34-19/h3-9,12,15H,10-11,13-14,16-17H2,1-2H3,(H,26,28)