[2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)Cl

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)Cl

InChI

InChI=1S/C22H25ClN2O5S/c1-22(2,3)24-20(26)14-30-21(27)17-13-16(10-11-18(17)23)31(28,29)25-12-6-8-15-7-4-5-9-19(15)25/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3,(H,24,26)