[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C20H29ClN2O5S MolecularWeight: 444.97266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN2O5S/c1-14(2)23(15(3)4)19(24)13-28-20(25)17-12-16(8-9-18(17)21)29(26,27)22-10-6-5-7-11-22/h8-9,12,14-15H,5-7,10-11,13H2,1-4H3