N,N-dimethyl-1-[2-nitro-5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenyl]methanesulfonamide

Systemtic Name: N,N-dimethyl-1-[2-nitro-5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenyl]methanesulfonamide Openeye Name: N,N-dimethyl-1-[2-nitro-5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenyl]methanesulfonamide CAS Name: N,N-dimethyl-1-[2-nitro-5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenyl]methanesulfonamide IUPAC Name: N,N-dimethyl-1-[2-nitro-5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenyl]methanesulfonamide Traditional Name: N,N-dimethyl-1-[2-nitro-5-(10,15,20-triphenyl-21,22-dihydroporphin-5-yl)phenyl]methanesulfonamide Formula: C47H36N6O4S MolecularWeight: 780.89154

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)CC1=C(C=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)CC1=C(C=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3)[N+](=O)[O-]

InChI

InChI=1S/C47H36N6O4S/c1-52(2)58(56,57)29-34-28-33(18-27-43(34)53(54)55)47-41-25-23-39(50-41)45(31-14-8-4-9-15-31)37-21-19-35(48-37)44(30-12-6-3-7-13-30)36-20-22-38(49-36)46(32-16-10-5-11-17-32)40-24-26-42(47)51-40/h3-28,50-51H,29H2,1-2H3