2-oxidanylidenepropyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 2-oxidanylidenepropyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: acetonyl 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid acetonyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(=O)COC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H28N2O5S/c1-16(23)15-27-20(24)17-8-9-18(21-10-4-2-5-11-21)19(14-17)28(25,26)22-12-6-3-7-13-22/h8-9,14H,2-7,10-13,15H2,1H3