5-(4-methylphenyl)sulfonyl-1,4-dihydropyrimido[5,4-b]indole-2-carboxylic acid

Systemtic Name: 5-(4-methylphenyl)sulfonyl-1,4-dihydropyrimido[5,4-b]indole-2-carboxylic acid Openeye Name: 5-(p-tolylsulfonyl)-1,4-dihydropyrimido[5,4-b]indole-2-carboxylic acid CAS Name: 5-(4-methylphenyl)sulfonyl-1,4-dihydropyrimido[5,4-b]indole-2-carboxylic acid IUPAC Name: 5-(4-methylphenyl)sulfonyl-1,4-dihydropyrimido[5,4-b]indole-2-carboxylic acid Traditional Name: 5-tosyl-1,4-dihydropyrimid[5,4-b]indole-2-carboxylic acid Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C4=CC=CC=C42)NC(=NC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C4=CC=CC=C42)NC(=NC3)C(=O)O

InChI

InChI=1S/C18H15N3O4S/c1-11-6-8-12(9-7-11)26(24,25)21-14-5-3-2-4-13(14)16-15(21)10-19-17(20-16)18(22)23/h2-9H,10H2,1H3,(H,19,20)(H,22,23)