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

Systemtic Name: benzenesulfonic acid; 1-[3-(4-chloranylphenoxy)-1-oxidanyl-propyl]-4-pyridin-3-yl-piperidin-4-ol Openeye Name: benzenesulfonic acid; 1-[3-(4-chlorophenoxy)-1-hydroxy-propyl]-4-(3-pyridyl)piperidin-4-ol CAS Name: benzenesulfonic acid; 1-[3-(4-chlorophenoxy)-1-hydroxypropyl]-4-(3-pyridinyl)-4-piperidinol IUPAC Name: benzenesulfonic acid; 1-[3-(4-chlorophenoxy)-1-hydroxypropyl]-4-pyridin-3-ylpiperidin-4-ol Traditional Name: besylic acid; 1-[3-(4-chlorophenoxy)-1-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)C(CCOC3=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(CCOC3=CC=C(C=C3)Cl)O.C1=CC=C(C=C1)S(=O)(=O)O

InChI

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