5-(4-methylphenyl)sulfonyl-8-phenoxy-pyrimido[5,4-b]indole-2-carboxylic acid

Systemtic Name: 5-(4-methylphenyl)sulfonyl-8-phenoxy-pyrimido[5,4-b]indole-2-carboxylic acid Openeye Name: 8-phenoxy-5-(p-tolylsulfonyl)pyrimido[5,4-b]indole-2-carboxylic acid CAS Name: 5-(4-methylphenyl)sulfonyl-8-phenoxy-2-pyrimido[5,4-b]indolecarboxylic acid IUPAC Name: 5-(4-methylphenyl)sulfonyl-8-phenoxypyrimido[5,4-b]indole-2-carboxylic acid Traditional Name: 8-phenoxy-5-tosyl-pyrimid[5,4-b]indole-2-carboxylic acid Formula: C24H17N3O5S MolecularWeight: 459.47388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OC4=CC=CC=C4)C5=NC(=NC=C52)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OC4=CC=CC=C4)C5=NC(=NC=C52)C(=O)O

InChI

InChI=1S/C24H17N3O5S/c1-15-7-10-18(11-8-15)33(30,31)27-20-12-9-17(32-16-5-3-2-4-6-16)13-19(20)22-21(27)14-25-23(26-22)24(28)29/h2-14H,1H3,(H,28,29)