ethyl 1-[4-(5-chloranyl-1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-(5-chloranyl-1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[[4-(5-chloro-1,3-benzoxazol-2-yl)-1-piperidyl]sulfonyl]piperidine-3-carboxylate CAS Name: 1-[[4-(5-chloro-1,3-benzoxazol-2-yl)-1-piperidinyl]sulfonyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidino]sulfonylnipecotic acid ethyl ester Formula: C20H26ClN3O5S MolecularWeight: 455.95554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)N2CCC(CC2)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)N2CCC(CC2)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C20H26ClN3O5S/c1-2-28-20(25)15-4-3-9-24(13-15)30(26,27)23-10-7-14(8-11-23)19-22-17-12-16(21)5-6-18(17)29-19/h5-6,12,14-15H,2-4,7-11,13H2,1H3