benzenesulfonic acid; 1-[(2R)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-4-pyridin-3-yl-piperidin-4-ol

Systemtic Name: benzenesulfonic acid; 1-[(2R)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-4-pyridin-3-yl-piperidin-4-ol Openeye Name: benzenesulfonic acid; 1-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-4-(3-pyridyl)piperidin-4-ol CAS Name: benzenesulfonic acid; 1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-(3-pyridinyl)-4-piperidinol IUPAC Name: benzenesulfonic acid; 1-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol Traditional Name: besylic acid; 1-[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-4-(3-pyridyl)piperidin-4-ol Formula: C25H29ClN2O6S MolecularWeight: 521.02556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CN=CC=C2)O)CC(COC3=CC=C(C=C3)Cl)O.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C1CN(CCC1(C2=CN=CC=C2)O)C[C@H](COC3=CC=C(C=C3)Cl)O.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C19H23ClN2O3.C6H6O3S/c20-16-3-5-18(6-4-16)25-14-17(23)13-22-10-7-19(24,8-11-22)15-2-1-9-21-12-15;7-10(8,9)6-4-2-1-3-5-6/h1-6,9,12,17,23-24H,7-8,10-11,13-14H2;1-5H,(H,7,8,9)/t17-;/m1./s1