dimethyl 1-(4-methylphenyl)sulfonyl-2-phenacyl-2H-pyrrolo[3,2-b]pyridine-3,3-dicarboxylate

Systemtic Name: dimethyl 1-(4-methylphenyl)sulfonyl-2-phenacyl-2H-pyrrolo[3,2-b]pyridine-3,3-dicarboxylate Openeye Name: dimethyl 2-phenacyl-1-(p-tolylsulfonyl)-2H-pyrrolo[3,2-b]pyridine-3,3-dicarboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-phenacyl-2H-pyrrolo[3,2-b]pyridine-3,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(4-methylphenyl)sulfonyl-2-phenacyl-2H-pyrrolo[3,2-b]pyridine-3,3-dicarboxylate Traditional Name: 2-phenacyl-1-tosyl-2H-pyrrolo[3,2-b]pyridine-3,3-dicarboxylic acid dimethyl ester Formula: C26H24N2O7S MolecularWeight: 508.54296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C3=C2C=CC=N3)(C(=O)OC)C(=O)OC)CC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C3=C2C=CC=N3)(C(=O)OC)C(=O)OC)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O7S/c1-17-11-13-19(14-12-17)36(32,33)28-20-10-7-15-27-23(20)26(24(30)34-2,25(31)35-3)22(28)16-21(29)18-8-5-4-6-9-18/h4-15,22H,16H2,1-3H3