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

Systemtic Name: tert-butyl 4-[[4-(5-chloranylthiophen-2-yl)phenyl]carbamoyl-methyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(5-chloro-2-thienyl)phenyl]carbamoyl-methyl-amino]piperidine-1-carboxylate CAS Name: 4-[[[4-(5-chloro-2-thiophenyl)anilino]-oxomethyl]-methylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(5-chlorothiophen-2-yl)phenyl]carbamoyl-methylamino]piperidine-1-carboxylate Traditional Name: 4-[[4-(5-chloro-2-thienyl)phenyl]carbamoyl-methyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3S/c1-22(2,3)29-21(28)26-13-11-17(12-14-26)25(4)20(27)24-16-7-5-15(6-8-16)18-9-10-19(23)30-18/h5-10,17H,11-14H2,1-4H3,(H,24,27)