[3-bromanyl-2-(2,3-dihydroindol-1-ylcarbonyl)-6-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-bromanyl-2-(2,3-dihydroindol-1-ylcarbonyl)-6-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [3-bromo-2-(indoline-1-carbonyl)-6-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-bromo-2-[2,3-dihydroindol-1-yl(oxo)methyl]-6-methoxyphenyl] ester IUPAC Name: [3-bromo-2-(2,3-dihydroindole-1-carbonyl)-6-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-bromo-2-(indoline-1-carbonyl)-6-methoxy-phenyl] ester Formula: C23H20BrNO5S MolecularWeight: 502.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2C(=O)N3CCC4=CC=CC=C43)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2C(=O)N3CCC4=CC=CC=C43)Br)OC

InChI

InChI=1S/C23H20BrNO5S/c1-15-7-9-17(10-8-15)31(27,28)30-22-20(29-2)12-11-18(24)21(22)23(26)25-14-13-16-5-3-4-6-19(16)25/h3-12H,13-14H2,1-2H3