tert-butyl 4-[[5-(3-fluorophenyl)thiophen-2-yl]carbamoyl-methyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-(3-fluorophenyl)thiophen-2-yl]carbamoyl-methyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-(3-fluorophenyl)-2-thienyl]carbamoyl-methyl-amino]piperidine-1-carboxylate CAS Name: 4-[[[[5-(3-fluorophenyl)-2-thiophenyl]amino]-oxomethyl]-methylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(3-fluorophenyl)thiophen-2-yl]carbamoyl-methylamino]piperidine-1-carboxylate Traditional Name: 4-[[5-(3-fluorophenyl)-2-thienyl]carbamoyl-methyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C(=O)NC2=CC=C(S2)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C(=O)NC2=CC=C(S2)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H28FN3O3S/c1-22(2,3)29-21(28)26-12-10-17(11-13-26)25(4)20(27)24-19-9-8-18(30-19)15-6-5-7-16(23)14-15/h5-9,14,17H,10-13H2,1-4H3,(H,24,27)