ethyl 1-[(2S)-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[(1-besylisonipecotoyl)amino]propanoyl]isonipecotic acid ethyl ester Formula: C23H33N3O6S MolecularWeight: 479.58962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H33N3O6S/c1-3-32-23(29)19-9-13-25(14-10-19)22(28)17(2)24-21(27)18-11-15-26(16-12-18)33(30,31)20-7-5-4-6-8-20/h4-8,17-19H,3,9-16H2,1-2H3,(H,24,27)/t17-/m0/s1