3-methyl-N-[(2R)-4-methylsulfonyl-1-oxidanylidene-1-[2-(phenylmethylsulfanyl)ethylamino]butan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[(2R)-4-methylsulfonyl-1-oxidanylidene-1-[2-(phenylmethylsulfanyl)ethylamino]butan-2-yl]benzamide Openeye Name: N-[(1R)-1-(2-benzylsulfanylethylcarbamoyl)-3-methylsulfonyl-propyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[(2R)-4-methylsulfonyl-1-oxo-1-[2-(phenylmethylthio)ethylamino]butan-2-yl]benzamide IUPAC Name: N-[(2R)-1-(2-benzylsulfanylethylamino)-4-methylsulfonyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[(1R)-1-[2-(benzylthio)ethylcarbamoyl]-3-mesyl-propyl]-3-methyl-benzamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCS(=O)(=O)C)C(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O4S2/c1-17-7-6-10-19(15-17)21(25)24-20(11-14-30(2,27)28)22(26)23-12-13-29-16-18-8-4-3-5-9-18/h3-10,15,20H,11-14,16H2,1-2H3,(H,23,26)(H,24,25)/t20-/m1/s1