benzenesulfonic acid; 2-methyl-5-(4-phenylpiperidin-4-yl)-1,3,4-oxadiazole

Systemtic Name: benzenesulfonic acid; 2-methyl-5-(4-phenylpiperidin-4-yl)-1,3,4-oxadiazole Openeye Name: benzenesulfonic acid; 2-methyl-5-(4-phenyl-4-piperidyl)-1,3,4-oxadiazole CAS Name: benzenesulfonic acid; 2-methyl-5-(4-phenyl-4-piperidinyl)-1,3,4-oxadiazole IUPAC Name: benzenesulfonic acid; 2-methyl-5-(4-phenylpiperidin-4-yl)-1,3,4-oxadiazole Traditional Name: besylic acid; 2-methyl-5-(4-phenyl-4-piperidyl)-1,3,4-oxadiazole Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)C2(CCNCC2)C3=CC=CC=C3.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=NN=C(O1)C2(CCNCC2)C3=CC=CC=C3.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C14H17N3O.C6H6O3S/c1-11-16-17-13(18-11)14(7-9-15-10-8-14)12-5-3-2-4-6-12;7-10(8,9)6-4-2-1-3-5-6/h2-6,15H,7-10H2,1H3;1-5H,(H,7,8,9)