3-(1-ethyl-5-oxidanyl-2-oxidanylidene-3H-indol-6-yl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(1-ethyl-5-oxidanyl-2-oxidanylidene-3H-indol-6-yl)propyl 4-methylbenzenesulfonate Openeye Name: 3-(1-ethyl-5-hydroxy-2-oxo-indolin-6-yl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(1-ethyl-5-hydroxy-2-oxo-3H-indol-6-yl)propyl ester IUPAC Name: 3-(1-ethyl-5-hydroxy-2-oxo-3H-indol-6-yl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(1-ethyl-5-hydroxy-2-keto-indolin-6-yl)propyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC2=CC(=C(C=C21)CCCOS(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCN1C(=O)CC2=CC(=C(C=C21)CCCOS(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C20H23NO5S/c1-3-21-18-11-15(19(22)12-16(18)13-20(21)23)5-4-10-26-27(24,25)17-8-6-14(2)7-9-17/h6-9,11-12,22H,3-5,10,13H2,1-2H3