(3S)-1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[(3S)-1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3S)-1-(4-fluorophenyl)sulfonylnipecotoyl]nipecotate Formula: C18H22FN2O5S- MolecularWeight: 397.441083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)[O-]

InChI

InChI=1S/C18H23FN2O5S/c19-15-5-7-16(8-6-15)27(25,26)21-10-2-3-13(12-21)17(22)20-9-1-4-14(11-20)18(23)24/h5-8,13-14H,1-4,9-12H2,(H,23,24)/p-1/t13-,14-/m0/s1