ethyl 4-[4-[3-(4-fluorophenyl)sulfanylpropanoylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[3-(4-fluorophenyl)sulfanylpropanoylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[3-(4-fluorophenyl)sulfanylpropanoylamino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(4-fluorophenyl)sulfanylpropanoylamino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[3-[(4-fluorophenyl)thio]propanoylamino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H30FN3O4S MolecularWeight: 439.544003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C21H30FN3O4S/c1-2-29-21(28)25-13-9-17(10-14-25)24-20(27)4-3-12-23-19(26)11-15-30-18-7-5-16(22)6-8-18/h5-8,17H,2-4,9-15H2,1H3,(H,23,26)(H,24,27)