N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-morpholinosulfonyl-benzamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-morpholinosulfonyl-benzamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H26N2O4S2/c1-16-6-7-19(14-17(16)2)28-13-8-22-21(24)18-4-3-5-20(15-18)29(25,26)23-9-11-27-12-10-23/h3-7,14-15H,8-13H2,1-2H3,(H,22,24)