2-chloranyl-N-[2-(phenylsulfonyl)-9-prop-2-enyl-pyrimido[4,5-b]indol-4-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-(phenylsulfonyl)-9-prop-2-enyl-pyrimido[4,5-b]indol-4-yl]benzamide Openeye Name: N-[9-allyl-2-(benzenesulfonyl)pyrimido[4,5-b]indol-4-yl]-2-chloro-benzamide CAS Name: N-[2-(benzenesulfonyl)-9-prop-2-enyl-4-pyrimido[4,5-b]indolyl]-2-chlorobenzamide IUPAC Name: N-[2-(benzenesulfonyl)-9-prop-2-enylpyrimido[4,5-b]indol-4-yl]-2-chlorobenzamide Traditional Name: N-(9-allyl-2-besyl-pyrimid[4,5-b]indol-4-yl)-2-chloro-benzamide Formula: C26H19ClN4O3S MolecularWeight: 502.97206

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2C3=C1N=C(N=C3NC(=O)C4=CC=CC=C4Cl)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C=CCN1C2=CC=CC=C2C3=C1N=C(N=C3NC(=O)C4=CC=CC=C4Cl)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H19ClN4O3S/c1-2-16-31-21-15-9-7-13-19(21)22-23(28-25(32)18-12-6-8-14-20(18)27)29-26(30-24(22)31)35(33,34)17-10-4-3-5-11-17/h2-15H,1,16H2,(H,28,29,30,32)