[2-(butylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O5S/c1-2-3-9-20-17(22)13-26-18(23)14-7-8-15(19)16(12-14)27(24,25)21-10-5-4-6-11-21/h7-8,12H,2-6,9-11,13H2,1H3,(H,20,22)