3,4-dimethyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: 3,4-dimethyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: 3,4-dimethyl-5-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3,4-dimethyl-5-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 3,4-dimethyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3,4-dimethyl-5-[(3S)-3-methylpiperidino]sulfonyl-benzoate Formula: C15H20NO4S- MolecularWeight: 310.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)[O-]

InChI

InChI=1S/C15H21NO4S/c1-10-5-4-6-16(9-10)21(19,20)14-8-13(15(17)18)7-11(2)12(14)3/h7-8,10H,4-6,9H2,1-3H3,(H,17,18)/p-1/t10-/m0/s1