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

Systemtic Name: [2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-[(4-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C26H25FN2O5S MolecularWeight: 496.550503

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C26H25FN2O5S/c1-28(17-19-11-13-22(27)14-12-19)25(30)18-34-26(31)21-7-4-9-23(16-21)35(32,33)29-15-5-8-20-6-2-3-10-24(20)29/h2-4,6-7,9-14,16H,5,8,15,17-18H2,1H3