5-bromanyl-N-[9-butyl-2-(4-methylphenyl)sulfonyl-pyrimido[4,5-b]indol-4-yl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[9-butyl-2-(4-methylphenyl)sulfonyl-pyrimido[4,5-b]indol-4-yl]furan-2-carboxamide Openeye Name: 5-bromo-N-[9-butyl-2-(p-tolylsulfonyl)pyrimido[4,5-b]indol-4-yl]furan-2-carboxamide CAS Name: 5-bromo-N-[9-butyl-2-(4-methylphenyl)sulfonyl-4-pyrimido[4,5-b]indolyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[9-butyl-2-(4-methylphenyl)sulfonylpyrimido[4,5-b]indol-4-yl]furan-2-carboxamide Traditional Name: 5-bromo-N-(9-butyl-2-tosyl-pyrimid[4,5-b]indol-4-yl)-2-furamide Formula: C26H23BrN4O4S MolecularWeight: 567.45422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=C1N=C(N=C3NC(=O)C4=CC=C(O4)Br)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=C1N=C(N=C3NC(=O)C4=CC=C(O4)Br)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H23BrN4O4S/c1-3-4-15-31-19-8-6-5-7-18(19)22-23(28-25(32)20-13-14-21(27)35-20)29-26(30-24(22)31)36(33,34)17-11-9-16(2)10-12-17/h5-14H,3-4,15H2,1-2H3,(H,28,29,30,32)