N-[9-butyl-2-(4-methylphenyl)sulfonyl-pyrimido[4,5-b]indol-4-yl]-4-chloranyl-benzamide

Systemtic Name: N-[9-butyl-2-(4-methylphenyl)sulfonyl-pyrimido[4,5-b]indol-4-yl]-4-chloranyl-benzamide Openeye Name: N-[9-butyl-2-(p-tolylsulfonyl)pyrimido[4,5-b]indol-4-yl]-4-chloro-benzamide CAS Name: N-[9-butyl-2-(4-methylphenyl)sulfonyl-4-pyrimido[4,5-b]indolyl]-4-chlorobenzamide IUPAC Name: N-[9-butyl-2-(4-methylphenyl)sulfonylpyrimido[4,5-b]indol-4-yl]-4-chlorobenzamide Traditional Name: N-(9-butyl-2-tosyl-pyrimid[4,5-b]indol-4-yl)-4-chloro-benzamide Formula: C28H25ClN4O3S MolecularWeight: 533.0411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25ClN4O3S/c1-3-4-17-33-23-8-6-5-7-22(23)24-25(30-27(34)19-11-13-20(29)14-12-19)31-28(32-26(24)33)37(35,36)21-15-9-18(2)10-16-21/h5-16H,3-4,17H2,1-2H3,(H,30,31,32,34)