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

Systemtic Name: [3-(5-azanyl-2-phenylazanyl-phenyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(5-amino-2-anilino-phenyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(5-amino-2-anilinophenyl)phenyl] ester IUPAC Name: [3-(5-amino-2-anilinophenyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(5-amino-2-anilino-phenyl)phenyl] ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C3=C(C=CC(=C3)N)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C3=C(C=CC(=C3)N)NC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c1-18-10-13-23(14-11-18)31(28,29)30-22-9-5-6-19(16-22)24-17-20(26)12-15-25(24)27-21-7-3-2-4-8-21/h2-17,27H,26H2,1H3