2-(2-ethanoylphenoxy)ethyl 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: 2-(2-ethanoylphenoxy)ethyl 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: 2-(2-acetylphenoxy)ethyl 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid 2-(2-acetylphenoxy)ethyl ester IUPAC Name: 2-(2-acetylphenoxy)ethyl 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid 2-(2-acetylphenoxy)ethyl ester Formula: C23H26ClNO6S MolecularWeight: 479.97364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCOC3=CC=CC=C3C(=O)C)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCOC3=CC=CC=C3C(=O)C)Cl

InChI

InChI=1S/C23H26ClNO6S/c1-16-6-5-11-25(15-16)32(28,29)22-14-18(9-10-20(22)24)23(27)31-13-12-30-21-8-4-3-7-19(21)17(2)26/h3-4,7-10,14,16H,5-6,11-13,15H2,1-2H3/t16-/m0/s1