ethyl 4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[4-(1-piperidylsulfonyl)phenyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-piperidinosulfonylphenyl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H31N3O5S/c1-2-29-21(26)23-16-14-22(15-17-23)20(25)11-8-18-6-9-19(10-7-18)30(27,28)24-12-4-3-5-13-24/h6-7,9-10H,2-5,8,11-17H2,1H3