2-chloranyl-N-(3,4-dimethoxyphenyl)-5-thiomorpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(3,4-dimethoxyphenyl)-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-(3,4-dimethoxyphenyl)-5-thiomorpholinosulfonyl-benzamide CAS Name: 2-chloro-N-(3,4-dimethoxyphenyl)-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: 2-chloro-N-(3,4-dimethoxyphenyl)-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(3,4-dimethoxyphenyl)-5-thiomorpholinosulfonyl-benzamide Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl)OC

InChI

InChI=1S/C19H21ClN2O5S2/c1-26-17-6-3-13(11-18(17)27-2)21-19(23)15-12-14(4-5-16(15)20)29(24,25)22-7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)