2-chloranyl-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-5-thiomorpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-5-thiomorpholinosulfonyl-benzamide CAS Name: 2-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: 2-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(4-ethoxy-3-methoxy-benzyl)-5-thiomorpholinosulfonyl-benzamide Formula: C21H25ClN2O5S2 MolecularWeight: 485.0166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl)OC

InChI

InChI=1S/C21H25ClN2O5S2/c1-3-29-19-7-4-15(12-20(19)28-2)14-23-21(25)17-13-16(5-6-18(17)22)31(26,27)24-8-10-30-11-9-24/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,23,25)