[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C25H23BrN2O5S MolecularWeight: 543.42952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)Br

InChI

InChI=1S/C25H23BrN2O5S/c1-17-8-13-22(21(26)15-17)27-24(29)16-33-25(30)19-9-11-20(12-10-19)34(31,32)28-14-4-6-18-5-2-3-7-23(18)28/h2-3,5,7-13,15H,4,6,14,16H2,1H3,(H,27,29)