tert-butyl (2R)-2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)methoxy]butanoate

Systemtic Name: tert-butyl (2R)-2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)methoxy]butanoate Openeye Name: tert-butyl (2R)-2-[[2-chloro-5-(1-piperidylsulfonyl)phenyl]methoxy]butanoate CAS Name: (2R)-2-[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]methoxy]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]butanoate Traditional Name: (2R)-2-(2-chloro-5-piperidinosulfonyl-benzyl)oxybutyric acid tert-butyl ester Formula: C20H30ClNO5S MolecularWeight: 431.9739

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)(C)C)OCC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

CC[C@H](C(=O)OC(C)(C)C)OCC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C20H30ClNO5S/c1-5-18(19(23)27-20(2,3)4)26-14-15-13-16(9-10-17(15)21)28(24,25)22-11-7-6-8-12-22/h9-10,13,18H,5-8,11-12,14H2,1-4H3/t18-/m1/s1