1-ethyl-3-(4-phenylpiperidin-4-yl)urea; 4-methylbenzenesulfonic acid

Systemtic Name: 1-ethyl-3-(4-phenylpiperidin-4-yl)urea; 4-methylbenzenesulfonic acid Openeye Name: 1-ethyl-3-(4-phenyl-4-piperidyl)urea; 4-methylbenzenesulfonic acid CAS Name: 1-ethyl-3-(4-phenyl-4-piperidinyl)urea; 4-methylbenzenesulfonic acid IUPAC Name: 1-ethyl-3-(4-phenylpiperidin-4-yl)urea; 4-methylbenzenesulfonic acid Traditional Name: 1-ethyl-3-(4-phenyl-4-piperidyl)urea; tosylic acid Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1(CCNCC1)C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCNC(=O)NC1(CCNCC1)C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C14H21N3O.C7H8O3S/c1-2-16-13(18)17-14(8-10-15-11-9-14)12-6-4-3-5-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,15H,2,8-11H2,1H3,(H2,16,17,18);2-5H,1H3,(H,8,9,10)