ethyl (3S)-3-[[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl (3S)-3-[[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl (3S)-3-[[[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]carbamoyl]piperidine-1-carboxylate CAS Name: (3S)-3-[[[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]carbamoyl]piperidine-1-carboxylate Traditional Name: (3S)-3-[[[(3S)-1-tosylnipecotoyl]amino]carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C22H32N4O6S MolecularWeight: 480.57768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(C1)C(=O)NNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCC[C@@H](C1)C(=O)NNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H32N4O6S/c1-3-32-22(29)25-12-4-6-17(14-25)20(27)23-24-21(28)18-7-5-13-26(15-18)33(30,31)19-10-8-16(2)9-11-19/h8-11,17-18H,3-7,12-15H2,1-2H3,(H,23,27)(H,24,28)/t17-,18-/m0/s1