tert-butyl 4-[[6-(5-chloranylthiophen-2-yl)pyridin-3-yl]carbamoyl-methyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[6-(5-chloranylthiophen-2-yl)pyridin-3-yl]carbamoyl-methyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[6-(5-chloro-2-thienyl)-3-pyridyl]carbamoyl-methyl-amino]piperidine-1-carboxylate CAS Name: 4-[[[[6-(5-chloro-2-thiophenyl)-3-pyridinyl]amino]-oxomethyl]-methylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-(5-chlorothiophen-2-yl)pyridin-3-yl]carbamoyl-methylamino]piperidine-1-carboxylate Traditional Name: 4-[[6-(5-chloro-2-thienyl)-3-pyridyl]carbamoyl-methyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H27ClN4O3S MolecularWeight: 450.98208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C(=O)NC2=CN=C(C=C2)C3=CC=C(S3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C(=O)NC2=CN=C(C=C2)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H27ClN4O3S/c1-21(2,3)29-20(28)26-11-9-15(10-12-26)25(4)19(27)24-14-5-6-16(23-13-14)17-7-8-18(22)30-17/h5-8,13,15H,9-12H2,1-4H3,(H,24,27)