methyl 2-[2-chloranyl-4-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[2-chloranyl-4-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-[(4-benzyl-1-piperidyl)sulfonyl]-2-chloro-phenoxy]acetate CAS Name: 2-[2-chloro-4-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-benzylpiperidin-1-yl)sulfonyl-2-chlorophenoxy]acetate Traditional Name: 2-[4-(4-benzylpiperidino)sulfonyl-2-chloro-phenoxy]acetic acid methyl ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H24ClNO5S/c1-27-21(24)15-28-20-8-7-18(14-19(20)22)29(25,26)23-11-9-17(10-12-23)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13,15H2,1H3