ethyl 1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C20H28FN3O5S MolecularWeight: 441.516823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C20H28FN3O5S/c1-2-29-20(26)16-5-4-8-22(14-16)15-19(25)23-9-11-24(12-10-23)30(27,28)18-7-3-6-17(21)13-18/h3,6-7,13,16H,2,4-5,8-12,14-15H2,1H3