N-[2-(4-methylphenyl)sulfanylethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: 3-(4-morpholinosulfonylphenyl)-N-[2-(p-tolylsulfanyl)ethyl]propanamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: 3-(4-morpholinosulfonylphenyl)-N-[2-(p-tolylthio)ethyl]propionamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H28N2O4S2/c1-18-2-7-20(8-3-18)29-17-12-23-22(25)11-6-19-4-9-21(10-5-19)30(26,27)24-13-15-28-16-14-24/h2-5,7-10H,6,11-17H2,1H3,(H,23,25)