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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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