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

Systemtic Name: tert-butyl 2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)methoxy]ethanoate Openeye Name: tert-butyl 2-[[2-chloro-5-(1-piperidylsulfonyl)phenyl]methoxy]acetate CAS Name: 2-[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]methoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]acetate Traditional Name: 2-(2-chloro-5-piperidinosulfonyl-benzyl)oxyacetic acid tert-butyl ester Formula: C18H26ClNO5S MolecularWeight: 403.92074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COCC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)COCC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C18H26ClNO5S/c1-18(2,3)25-17(21)13-24-12-14-11-15(7-8-16(14)19)26(22,23)20-9-5-4-6-10-20/h7-8,11H,4-6,9-10,12-13H2,1-3H3