[2-azanyl-3-(2-bromophenyl)-5-methyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-azanyl-3-(2-bromophenyl)-5-methyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-amino-3-(2-bromophenyl)-5-methyl-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-amino-3-(2-bromophenyl)-5-methylphenyl] ester IUPAC Name: [2-amino-3-(2-bromophenyl)-5-methylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-amino-3-(2-bromophenyl)-5-methyl-phenyl] ester Formula: C20H18BrNO3S MolecularWeight: 432.33082

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO3S/c1-13-7-9-15(10-8-13)26(23,24)25-19-12-14(2)11-17(20(19)22)16-5-3-4-6-18(16)21/h3-12H,22H2,1-2H3