[6-bromanyl-9-(4-methylphenyl)sulfonyl-1-(oxan-2-yl)pyrido[3,4-b]indol-3-yl]methanol

Systemtic Name: [6-bromanyl-9-(4-methylphenyl)sulfonyl-1-(oxan-2-yl)pyrido[3,4-b]indol-3-yl]methanol Openeye Name: [6-bromo-9-(p-tolylsulfonyl)-1-tetrahydropyran-2-yl-pyrido[3,4-b]indol-3-yl]methanol CAS Name: [6-bromo-9-(4-methylphenyl)sulfonyl-1-(2-oxanyl)-3-pyrido[3,4-b]indolyl]methanol IUPAC Name: [6-bromo-9-(4-methylphenyl)sulfonyl-1-(oxan-2-yl)pyrido[3,4-b]indol-3-yl]methanol Traditional Name: (6-bromo-1-tetrahydropyran-2-yl-9-tosyl-$b-carbolin-3-yl)methanol Formula: C24H23BrN2O4S MolecularWeight: 515.41942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Br)C4=CC(=NC(=C42)C5CCCCO5)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Br)C4=CC(=NC(=C42)C5CCCCO5)CO

InChI

InChI=1S/C24H23BrN2O4S/c1-15-5-8-18(9-6-15)32(29,30)27-21-10-7-16(25)12-19(21)20-13-17(14-28)26-23(24(20)27)22-4-2-3-11-31-22/h5-10,12-13,22,28H,2-4,11,14H2,1H3