methyl 2-[(3S)-1-[[4-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]phenyl]methyl]piperidin-3-yl]ethanoate

Systemtic Name: methyl 2-[(3S)-1-[[4-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]phenyl]methyl]piperidin-3-yl]ethanoate Openeye Name: methyl 2-[(3S)-1-[[4-[(2,6-dichlorophenyl)methylsulfonyl]phenyl]methyl]-3-piperidyl]acetate CAS Name: 2-[(3S)-1-[[4-[(2,6-dichlorophenyl)methylsulfonyl]phenyl]methyl]-3-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S)-1-[[4-[(2,6-dichlorophenyl)methylsulfonyl]phenyl]methyl]piperidin-3-yl]acetate Traditional Name: 2-[(3S)-1-[4-(2,6-dichlorobenzyl)sulfonylbenzyl]-3-piperidyl]acetic acid methyl ester Formula: C22H25Cl2NO4S MolecularWeight: 470.4092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCCN(C1)CC2=CC=C(C=C2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

COC(=O)C[C@@H]1CCCN(C1)CC2=CC=C(C=C2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C22H25Cl2NO4S/c1-29-22(26)12-17-4-3-11-25(14-17)13-16-7-9-18(10-8-16)30(27,28)15-19-20(23)5-2-6-21(19)24/h2,5-10,17H,3-4,11-15H2,1H3/t17-/m0/s1