(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl) 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl) 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1,1-dimethyl-2-oxo-2-phenyl-ethyl) 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (2-methyl-1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (2-methyl-1-oxo-1-phenylpropan-2-yl) 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (2-keto-1,1-dimethyl-2-phenyl-ethyl) ester Formula: C22H24ClNO5S MolecularWeight: 449.94766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC(C)(C(=O)C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C22H24ClNO5S/c1-22(2,20(25)16-9-5-3-6-10-16)29-21(26)18-15-17(11-12-19(18)23)30(27,28)24-13-7-4-8-14-24/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3