methyl (2R)-2-[[(2R)-4-(4-dimethylaminophenyl)carbonyl-1-methylsulfonyl-piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2R)-4-(4-dimethylaminophenyl)carbonyl-1-methylsulfonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2R)-4-[4-(dimethylamino)benzoyl]-1-methylsulfonyl-piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2R)-4-[(4-dimethylaminophenyl)-oxomethyl]-1-methylsulfonyl-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-4-[4-(dimethylamino)benzoyl]-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2R)-4-[4-(dimethylamino)benzoyl]-1-mesyl-piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C19H28N4O6S MolecularWeight: 440.51382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1S(=O)(=O)C)C(=O)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@H]1CN(CCN1S(=O)(=O)C)C(=O)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C19H28N4O6S/c1-13(19(26)29-4)20-17(24)16-12-22(10-11-23(16)30(5,27)28)18(25)14-6-8-15(9-7-14)21(2)3/h6-9,13,16H,10-12H2,1-5H3,(H,20,24)/t13-,16-/m1/s1