tert-butyl (3S)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: (3S)-3-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: (3S)-3-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H30FN3O5S MolecularWeight: 455.543403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H30FN3O5S/c1-21(2,3)30-20(27)24-10-4-5-16(15-24)19(26)23-11-13-25(14-12-23)31(28,29)18-8-6-17(22)7-9-18/h6-9,16H,4-5,10-15H2,1-3H3/t16-/m0/s1