2-oxidanylidenepropyl 3-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: 2-oxidanylidenepropyl 3-[4-(phenylmethyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: acetonyl 3-[(4-benzyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-(4-benzylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperidino)sulfonylbenzoic acid acetonyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25NO5S/c1-17(24)16-28-22(25)20-8-5-9-21(15-20)29(26,27)23-12-10-19(11-13-23)14-18-6-3-2-4-7-18/h2-9,15,19H,10-14,16H2,1H3