[3-(5-azanyl-2-phenylazanyl-phenyl)phenyl] octane-1-sulfonate

Systemtic Name: [3-(5-azanyl-2-phenylazanyl-phenyl)phenyl] octane-1-sulfonate Openeye Name: [3-(5-amino-2-anilino-phenyl)phenyl] octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: [3-(5-amino-2-anilinophenyl)phenyl] octane-1-sulfonate Traditional Name: octane-1-sulfonic acid [3-(5-amino-2-anilino-phenyl)phenyl] ester Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=C(C=CC(=C2)N)NC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1=CC=CC(=C1)C2=C(C=CC(=C2)N)NC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O3S/c1-2-3-4-5-6-10-18-32(29,30)31-24-15-11-12-21(19-24)25-20-22(27)16-17-26(25)28-23-13-8-7-9-14-23/h7-9,11-17,19-20,28H,2-6,10,18,27H2,1H3