8-bromanyl-6-chloranyl-2-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-2,3-dihydrochromen-4-one

Systemtic Name: 8-bromanyl-6-chloranyl-2-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-2,3-dihydrochromen-4-one Openeye Name: 8-bromo-6-chloro-2-[2-[1-(p-tolylsulfonyl)indol-3-yl]ethyl]chroman-4-one CAS Name: 8-bromo-6-chloro-2-[2-[1-(4-methylphenyl)sulfonyl-3-indolyl]ethyl]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 8-bromo-6-chloro-2-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-2,3-dihydrochromen-4-one Traditional Name: 8-bromo-6-chloro-2-[2-(1-tosylindol-3-yl)ethyl]chroman-4-one Formula: C26H21BrClNO4S MolecularWeight: 558.87124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCC4CC(=O)C5=CC(=CC(=C5O4)Br)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCC4CC(=O)C5=CC(=CC(=C5O4)Br)Cl

InChI

InChI=1S/C26H21BrClNO4S/c1-16-6-10-20(11-7-16)34(31,32)29-15-17(21-4-2-3-5-24(21)29)8-9-19-14-25(30)22-12-18(28)13-23(27)26(22)33-19/h2-7,10-13,15,19H,8-9,14H2,1H3