[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C22H31ClN2O5S MolecularWeight: 471.00994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C22H31ClN2O5S/c23-20-12-11-18(31(28,29)25-13-7-4-8-14-25)15-19(20)22(27)30-16-21(26)24-17-9-5-2-1-3-6-10-17/h11-12,15,17H,1-10,13-14,16H2,(H,24,26)