N-(2,6-dimethylphenyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(2,6-dimethylphenyl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]propionamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H25N3O4S2/c1-14-5-4-6-15(2)19(14)22-20(24)16(3)28-18-8-7-17(13-21-18)29(25,26)23-9-11-27-12-10-23/h4-8,13,16H,9-12H2,1-3H3,(H,22,24)