4-[10,15,20-tris(4-sulfamoylphenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonamide

Systemtic Name: 4-[10,15,20-tris(4-sulfamoylphenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonamide Openeye Name: 4-[10,15,20-tris(4-sulfamoylphenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonamide CAS Name: 4-[10,15,20-tris(4-sulfamoylphenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonamide IUPAC Name: 4-[10,15,20-tris(4-sulfamoylphenyl)-21,24-dihydroporphyrin-5-yl]benzenesulfonamide Traditional Name: 4-[10,15,20-tris(4-sulfamoylphenyl)-21,24-dihydroporphin-5-yl]benzenesulfonamide Formula: C44H34N8O8S4 MolecularWeight: 931.04956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)N)C8=CC=C(C=C8)S(=O)(=O)N)C9=CC=C(C=C9)S(=O)(=O)N)N3)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)N)C8=CC=C(C=C8)S(=O)(=O)N)C9=CC=C(C=C9)S(=O)(=O)N)N3)S(=O)(=O)N

InChI

InChI=1S/C44H34N8O8S4/c45-61(53,54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)62(46,55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)64(48,59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)63(47,57)58/h1-24,49-50H,(H2,45,53,54)(H2,46,55,56)(H2,47,57,58)(H2,48,59,60)