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

Systemtic Name: 2-methylpropyl 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: isobutyl 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid isobutyl ester Formula: C17H24ClNO4S MolecularWeight: 373.89476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClNO4S/c1-12(2)11-23-17(20)14-6-7-15(18)16(9-14)24(21,22)19-8-4-5-13(3)10-19/h6-7,9,12-13H,4-5,8,10-11H2,1-3H3/t13-/m0/s1