3-[(2-methylimidazol-1-yl)methyl]-9-(4-methylphenyl)sulfonyl-2,3-dihydrothiopyrano[2,3-b]indol-4-one

Systemtic Name: 3-[(2-methylimidazol-1-yl)methyl]-9-(4-methylphenyl)sulfonyl-2,3-dihydrothiopyrano[2,3-b]indol-4-one Openeye Name: 3-[(2-methylimidazol-1-yl)methyl]-9-(p-tolylsulfonyl)-2,3-dihydrothiopyrano[2,3-b]indol-4-one CAS Name: 3-[(2-methyl-1-imidazolyl)methyl]-9-(4-methylphenyl)sulfonyl-2,3-dihydrothiopyrano[2,3-b]indol-4-one IUPAC Name: 3-[(2-methylimidazol-1-yl)methyl]-9-(4-methylphenyl)sulfonyl-2,3-dihydrothiopyrano[2,3-b]indol-4-one Traditional Name: 3-[(2-methylimidazol-1-yl)methyl]-9-tosyl-2,3-dihydrothiopyran[2,3-b]indol-4-one Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C2SCC(C4=O)CN5C=CN=C5C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C2SCC(C4=O)CN5C=CN=C5C

InChI

InChI=1S/C23H21N3O3S2/c1-15-7-9-18(10-8-15)31(28,29)26-20-6-4-3-5-19(20)21-22(27)17(14-30-23(21)26)13-25-12-11-24-16(25)2/h3-12,17H,13-14H2,1-2H3