methyl (2R)-2-[[(2R)-4-(phenylsulfonyl)-1-piperidin-4-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2R)-4-(phenylsulfonyl)-1-piperidin-4-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2R)-4-(benzenesulfonyl)-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2R)-4-(benzenesulfonyl)-1-[oxo(4-piperidinyl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-4-(benzenesulfonyl)-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2R)-4-besyl-1-isonipecotoyl-piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C21H30N4O6S MolecularWeight: 466.5511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2CCNCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@H]1CN(CCN1C(=O)C2CCNCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H30N4O6S/c1-15(21(28)31-2)23-19(26)18-14-24(32(29,30)17-6-4-3-5-7-17)12-13-25(18)20(27)16-8-10-22-11-9-16/h3-7,15-16,18,22H,8-14H2,1-2H3,(H,23,26)/t15-,18-/m1/s1