(1-oxidanylidene-1-phenyl-propan-2-yl) 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-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=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

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