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

Systemtic Name: ethyl 4-[(2S)-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-[(1-besylisonipecotoyl)amino]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H32N4O6S MolecularWeight: 480.57768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H32N4O6S/c1-3-32-22(29)25-15-13-24(14-16-25)21(28)17(2)23-20(27)18-9-11-26(12-10-18)33(30,31)19-7-5-4-6-8-19/h4-8,17-18H,3,9-16H2,1-2H3,(H,23,27)/t17-/m0/s1