[2-azanyl-3-(2-bromanyl-3,5-dimethoxy-phenyl)-5-methyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-azanyl-3-(2-bromanyl-3,5-dimethoxy-phenyl)-5-methyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-amino-3-(2-bromo-3,5-dimethoxy-phenyl)-5-methyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-amino-3-(2-bromo-3,5-dimethoxyphenyl)-5-methylphenyl] ester IUPAC Name: [2-amino-3-(2-bromo-3,5-dimethoxyphenyl)-5-methylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-amino-3-(2-bromo-3,5-dimethoxy-phenyl)-5-methyl-phenyl] ester Formula: C22H22BrNO5S MolecularWeight: 492.38278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2)C)C3=CC(=CC(=C3Br)OC)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=CC(=C2)C)C3=CC(=CC(=C3Br)OC)OC)N

InChI

InChI=1S/C22H22BrNO5S/c1-13-5-7-16(8-6-13)30(25,26)29-20-10-14(2)9-18(22(20)24)17-11-15(27-3)12-19(28-4)21(17)23/h5-12H,24H2,1-4H3