(4-methoxyphenyl) 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (4-methoxyphenyl) 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (4-methoxyphenyl) 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid (4-methoxyphenyl) ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO5S/c1-14-4-3-11-22(13-14)28(24,25)19-12-15(5-10-18(19)21)20(23)27-17-8-6-16(26-2)7-9-17/h5-10,12,14H,3-4,11,13H2,1-2H3