(3-ethyl-2-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindol-6-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (3-ethyl-2-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindol-6-yl)methyl 4-methylbenzenesulfonate Openeye Name: (3-ethyl-2-methyl-4-oxo-1,5,6,7-tetrahydroindol-6-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-ethyl-2-methyl-4-oxo-1,5,6,7-tetrahydroindol-6-yl)methyl ester IUPAC Name: (3-ethyl-2-methyl-4-oxo-1,5,6,7-tetrahydroindol-6-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-ethyl-4-keto-2-methyl-1,5,6,7-tetrahydroindol-6-yl)methyl ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC2=C1C(=O)CC(C2)COS(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCC1=C(NC2=C1C(=O)CC(C2)COS(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C19H23NO4S/c1-4-16-13(3)20-17-9-14(10-18(21)19(16)17)11-24-25(22,23)15-7-5-12(2)6-8-15/h5-8,14,20H,4,9-11H2,1-3H3