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

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C21H29ClN2O5S MolecularWeight: 456.98336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H29ClN2O5S/c22-18-10-9-17(13-19(18)30(27,28)24-11-5-2-6-12-24)21(26)29-15-20(25)23-14-16-7-3-1-4-8-16/h9-10,13,16H,1-8,11-12,14-15H2,(H,23,25)