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

Systemtic Name: (4-ethylphenyl) 4-chloranyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: (4-ethylphenyl) 4-chloro-3-[[(3R)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 4-chloro-3-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3R)-3-methylpiperidino]sulfonyl-benzoic acid (4-ethylphenyl) ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC(C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC[C@H](C3)C

InChI

InChI=1S/C21H24ClNO4S/c1-3-16-6-9-18(10-7-16)27-21(24)17-8-11-19(22)20(13-17)28(25,26)23-12-4-5-15(2)14-23/h6-11,13,15H,3-5,12,14H2,1-2H3/t15-/m1/s1