[3-acetyloxy-2,6-diphenyl-4-(4-sulfamoylphenyl)-1,2,5-triaza-4-azonia-3-boranuidacyclohexa-4,6-dien-3-yl] ethanoate

Systemtic Name: [3-acetyloxy-2,6-diphenyl-4-(4-sulfamoylphenyl)-1,2,5-triaza-4-azonia-3-boranuidacyclohexa-4,6-dien-3-yl] ethanoate Openeye Name: [3-acetoxy-2,6-diphenyl-4-(4-sulfamoylphenyl)-1,2,5-triaza-4-azonia-3-boranuidacyclohexa-4,6-dien-3-yl] acetate CAS Name: acetic acid [3-acetyloxy-2,6-diphenyl-4-(4-sulfamoylphenyl)-1,2,5-triaza-4-azonia-3-boranuidacyclohexa-4,6-dien-3-yl] ester IUPAC Name: [3-acetyloxy-2,6-diphenyl-4-(4-sulfamoylphenyl)-1,2,5-triaza-4-azonia-3-boranuidacyclohexa-4,6-dien-3-yl] acetate Traditional Name: acetic acid [3-acetoxy-2,6-diphenyl-4-(4-sulfamoylphenyl)-1,2,5-triaza-4-azonia-3-boranuidacyclohexa-4,6-dien-3-yl] ester Formula: C23H22BN5O6S MolecularWeight: 507.32668

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Descriptors Computed from Structure

Canonical SMILES:

[B-]1(N(N=C(N=[N+]1C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4)(OC(=O)C)OC(=O)C

Isomeric SMILES

[B-]1(N(N=C(N=[N+]1C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3)C4=CC=CC=C4)(OC(=O)C)OC(=O)C

InChI

InChI=1S/C23H22BN5O6S/c1-17(30)34-24(35-18(2)31)28(20-11-7-4-8-12-20)26-23(19-9-5-3-6-10-19)27-29(24)21-13-15-22(16-14-21)36(25,32)33/h3-16H,1-2H3,(H2,25,32,33)