[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-chloro-3-indolin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-indolin-1-ylsulfonyl-benzoic acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

CCNC(=O)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C21H22ClN3O6S/c1-3-23-21(28)24-19(26)13(2)31-20(27)15-8-9-16(22)18(12-15)32(29,30)25-11-10-14-6-4-5-7-17(14)25/h4-9,12-13H,3,10-11H2,1-2H3,(H2,23,24,26,28)