ethyl 4-[3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(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)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O6S/c1-2-32-22(29)25-16-14-24(15-17-25)20(27)8-11-23-21(28)18-9-12-26(13-10-18)33(30,31)19-6-4-3-5-7-19/h3-7,18H,2,8-17H2,1H3,(H,23,28)