N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide

Systemtic Name: N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide Openeye Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide CAS Name: N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-3-[(3,4-dimethylphenyl)thio]propanamide IUPAC Name: N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide Traditional Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-3-[(3,4-dimethylphenyl)thio]propionamide Formula: C21H25ClN2O4S2 MolecularWeight: 469.0172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H25ClN2O4S2/c1-15-3-5-18(13-16(15)2)29-12-7-21(25)23-17-4-6-19(22)20(14-17)30(26,27)24-8-10-28-11-9-24/h3-6,13-14H,7-12H2,1-2H3,(H,23,25)