2-oxidanylidenebutyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 2-oxidanylidenebutyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 2-oxobutyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid 2-oxobutyl ester IUPAC Name: 2-oxobutyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid 2-ketobutyl ester Formula: C16H20ClNO5S MolecularWeight: 373.8517

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

CCC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C16H20ClNO5S/c1-2-12(19)11-23-16(20)14-10-13(6-7-15(14)17)24(21,22)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3