3,3-dimethyl-10-(4-methylphenyl)-15-methylsulfonyl-22,24-dihydro-2H-porphyrin

Systemtic Name: 3,3-dimethyl-10-(4-methylphenyl)-15-methylsulfonyl-22,24-dihydro-2H-porphyrin Openeye Name: 3,3-dimethyl-15-methylsulfonyl-10-(p-tolyl)-22,24-dihydro-2H-porphyrin CAS Name: 3,3-dimethyl-10-(4-methylphenyl)-15-methylsulfonyl-22,24-dihydro-2H-porphyrin IUPAC Name: 3,3-dimethyl-10-(4-methylphenyl)-15-methylsulfonyl-22,24-dihydro-2H-porphyrin Traditional Name: 15-mesyl-3,3-dimethyl-10-(p-tolyl)-22,24-dihydro-2H-porphine Formula: C30H28N4O2S MolecularWeight: 508.63392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=CC5=CC=C(N5)C(=C6C=CC2=N6)S(=O)(=O)C)CC4(C)C)N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=CC5=CC=C(N5)C(=C6C=CC2=N6)S(=O)(=O)C)CC4(C)C)N3

InChI

InChI=1S/C30H28N4O2S/c1-18-5-7-19(8-6-18)28-23-11-9-21(31-23)16-27-30(2,3)17-22(33-27)15-20-10-12-25(32-20)29(37(4,35)36)26-14-13-24(28)34-26/h5-16,31-32H,17H2,1-4H3