(4-ethanoylphenyl) 4-chloranyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: (4-ethanoylphenyl) 4-chloranyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: (4-acetylphenyl) 4-chloro-3-[[(3R)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 4-chloro-3-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3R)-3-methylpiperidino]sulfonyl-benzoic acid (4-acetylphenyl) ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)C(=O)C)Cl

Isomeric SMILES

C[C@@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)C(=O)C)Cl

InChI

InChI=1S/C21H22ClNO5S/c1-14-4-3-11-23(13-14)29(26,27)20-12-17(7-10-19(20)22)21(25)28-18-8-5-16(6-9-18)15(2)24/h5-10,12,14H,3-4,11,13H2,1-2H3/t14-/m1/s1