[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-chloro-3-indolin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-indolin-1-ylsulfonyl-benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C22H25ClN2O5S/c1-3-17(4-2)24-21(26)14-30-22(27)16-9-10-18(23)20(13-16)31(28,29)25-12-11-15-7-5-6-8-19(15)25/h5-10,13,17H,3-4,11-12,14H2,1-2H3,(H,24,26)