phenyl 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: phenyl 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: phenyl 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid phenyl ester IUPAC Name: phenyl 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid phenyl ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO4S/c1-14-6-5-11-21(13-14)26(23,24)18-12-15(9-10-17(18)20)19(22)25-16-7-3-2-4-8-16/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m0/s1