2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-morpholinosulfonylphenyl)acetamide CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-[3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(3-morpholinosulfonylphenyl)acetamide Formula: C20H21ClN2O6S2 MolecularWeight: 484.97354

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H21ClN2O6S2/c21-17-8-14(9-18-20(17)29-13-28-18)11-30-12-19(24)22-15-2-1-3-16(10-15)31(25,26)23-4-6-27-7-5-23/h1-3,8-10H,4-7,11-13H2,(H,22,24)