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

Systemtic Name: [3-bromanyl-2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-phenyl] 4-methylbenzenesulfonate hydrochloride Openeye Name: [3-bromo-2-(indolin-1-ylmethyl)-6-methoxy-phenyl] 4-methylbenzenesulfonate hydrochloride CAS Name: 4-methylbenzenesulfonic acid [3-bromo-2-(2,3-dihydroindol-1-ylmethyl)-6-methoxyphenyl] ester hydrochloride IUPAC Name: [3-bromo-2-(2,3-dihydroindol-1-ylmethyl)-6-methoxyphenyl] 4-methylbenzenesulfonate hydrochloride Traditional Name: 4-methylbenzenesulfonic acid [3-bromo-2-(indolin-1-ylmethyl)-6-methoxy-phenyl] ester hydrochloride Formula: C23H23BrClNO4S MolecularWeight: 524.85502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2CN3CCC4=CC=CC=C43)Br)OC.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2CN3CCC4=CC=CC=C43)Br)OC.Cl

InChI

InChI=1S/C23H22BrNO4S.ClH/c1-16-7-9-18(10-8-16)30(26,27)29-23-19(20(24)11-12-22(23)28-2)15-25-14-13-17-5-3-4-6-21(17)25;/h3-12H,13-15H2,1-2H3;1H