benzenesulfonic acid; methyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]ethanoate

Systemtic Name: benzenesulfonic acid; methyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]ethanoate Openeye Name: benzenesulfonic acid; methyl (2R)-2-phenyl-2-[(2S)-2-piperidyl]acetate CAS Name: benzenesulfonic acid; (2R)-2-phenyl-2-[(2S)-2-piperidinyl]acetic acid methyl ester IUPAC Name: benzenesulfonic acid; methyl (2R)-2-phenyl-2-[(2S)-piperidin-2-yl]acetate Traditional Name: besylic acid; (2R)-2-phenyl-2-[(2S)-2-piperidyl]acetic acid methyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCN1)C2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

COC(=O)[C@@H]([C@@H]1CCCCN1)C2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C14H19NO2.C6H6O3S/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;7-10(8,9)6-4-2-1-3-5-6/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1-5H,(H,7,8,9)/t12-,13+;/m0./s1