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

Systemtic Name: 1-cyclopentyl-3-(4-phenylpiperidin-4-yl)urea; 4-methylbenzenesulfonic acid Openeye Name: 1-cyclopentyl-3-(4-phenyl-4-piperidyl)urea; 4-methylbenzenesulfonic acid CAS Name: 1-cyclopentyl-3-(4-phenyl-4-piperidinyl)urea; 4-methylbenzenesulfonic acid IUPAC Name: 1-cyclopentyl-3-(4-phenylpiperidin-4-yl)urea; 4-methylbenzenesulfonic acid Traditional Name: 1-cyclopentyl-3-(4-phenyl-4-piperidyl)urea; tosylic acid Formula: C24H33N3O4S MolecularWeight: 459.60152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(C1)NC(=O)NC2(CCNCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(C1)NC(=O)NC2(CCNCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H25N3O.C7H8O3S/c21-16(19-15-8-4-5-9-15)20-17(10-12-18-13-11-17)14-6-2-1-3-7-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7,15,18H,4-5,8-13H2,(H2,19,20,21);2-5H,1H3,(H,8,9,10)