N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutanecarboxamide; 4-methylbenzenesulfonic acid CAS Name: N-ethyl-3-fluoro-3-[3-fluoro-4-(1-pyrrolidinylmethyl)phenyl]-1-cyclobutanecarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidinomethyl)phenyl]cyclobutanecarboxamide; tosylic acid Formula: C25H32F2N2O4S MolecularWeight: 494.594386

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(C1)(C2=CC(=C(C=C2)CN3CCCC3)F)F.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCNC(=O)C1CC(C1)(C2=CC(=C(C=C2)CN3CCCC3)F)F.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C18H24F2N2O.C7H8O3S/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23);2-5H,1H3,(H,8,9,10)