tert-butyl 4-(6-chloranylpyridin-3-yl)sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranylpyridin-3-yl)sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-3-pyridyl)sulfonyl]piperazine-1-carboxylate CAS Name: 4-[(6-chloro-3-pyridinyl)sulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloropyridin-3-yl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-[(6-chloro-3-pyridyl)sulfonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C14H20ClN3O4S MolecularWeight: 361.8443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C14H20ClN3O4S/c1-14(2,3)22-13(19)17-6-8-18(9-7-17)23(20,21)11-4-5-12(15)16-10-11/h4-5,10H,6-9H2,1-3H3