[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O7S/c1-15(2)24-23(29)25-21(27)14-33-22(28)17-10-11-19(32-3)20(13-17)34(30,31)26-12-6-8-16-7-4-5-9-18(16)26/h4-5,7,9-11,13,15H,6,8,12,14H2,1-3H3,(H2,24,25,27,29)