[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 4-chloro-3-morpholinosulfonyl-benzoate CAS Name: 4-chloro-3-(4-morpholinylsulfonyl)benzoic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-chloro-3-morpholinosulfonyl-benzoic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C21H31ClN2O6S MolecularWeight: 474.99864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C21H31ClN2O6S/c1-15(2)12-23(13-16(3)4)20(25)14-30-21(26)17-5-6-18(22)19(11-17)31(27,28)24-7-9-29-10-8-24/h5-6,11,15-16H,7-10,12-14H2,1-4H3