(1-oxidanylidene-1-phenyl-propan-2-yl) 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-16(20(23)17-9-4-2-5-10-17)27-21(24)18-11-8-12-19(15-18)28(25,26)22-13-6-3-7-14-22/h2,4-5,8-12,15-16H,3,6-7,13-14H2,1H3