(phenylmethyl) 3-[benzo[b]acridin-5-ium-12-ylcarbonyl-(4-methoxyphenyl)sulfamoyl]benzoate

Systemtic Name: (phenylmethyl) 3-[benzo[b]acridin-5-ium-12-ylcarbonyl-(4-methoxyphenyl)sulfamoyl]benzoate Openeye Name: benzyl 3-[benzo[b]acridin-5-ium-12-carbonyl-(4-methoxyphenyl)sulfamoyl]benzoate CAS Name: 3-[[12-benzo[b]acridin-5-iumyl(oxo)methyl]-(4-methoxyphenyl)sulfamoyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[benzo[b]acridin-5-ium-12-carbonyl-(4-methoxyphenyl)sulfamoyl]benzoate Traditional Name: 3-[benz[b]acridin-5-ium-12-carbonyl-(4-methoxyphenyl)sulfamoyl]benzoic acid benzyl ester Formula: C39H29N2O6S+ MolecularWeight: 653.72236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(C(=O)C2=C3C=CC=CC3=[NH+]C4=CC5=CC=CC=C5C=C42)S(=O)(=O)C6=CC=CC(=C6)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

COC1=CC=C(C=C1)N(C(=O)C2=C3C=CC=CC3=[NH+]C4=CC5=CC=CC=C5C=C42)S(=O)(=O)C6=CC=CC(=C6)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C39H28N2O6S/c1-46-31-20-18-30(19-21-31)41(48(44,45)32-15-9-14-29(22-32)39(43)47-25-26-10-3-2-4-11-26)38(42)37-33-16-7-8-17-35(33)40-36-24-28-13-6-5-12-27(28)23-34(36)37/h2-24H,25H2,1H3/p+1