5-bromanyl-1-[[7-(phenylsulfonyl)-1H-indol-2-yl]carbonyl]-2H-indazol-3-one

Systemtic Name: 5-bromanyl-1-[[7-(phenylsulfonyl)-1H-indol-2-yl]carbonyl]-2H-indazol-3-one Openeye Name: 1-[7-(benzenesulfonyl)-1H-indole-2-carbonyl]-5-bromo-2H-indazol-3-one CAS Name: 1-[[7-(benzenesulfonyl)-1H-indol-2-yl]-oxomethyl]-5-bromo-2H-indazol-3-one IUPAC Name: 1-[7-(benzenesulfonyl)-1H-indole-2-carbonyl]-5-bromo-2H-indazol-3-one Traditional Name: 1-(7-besyl-1H-indole-2-carbonyl)-5-bromo-indazolin-3-one Formula: C22H14BrN3O4S MolecularWeight: 496.33326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC3=C2NC(=C3)C(=O)N4C5=C(C=C(C=C5)Br)C(=O)N4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC3=C2NC(=C3)C(=O)N4C5=C(C=C(C=C5)Br)C(=O)N4

InChI

InChI=1S/C22H14BrN3O4S/c23-14-9-10-18-16(12-14)21(27)25-26(18)22(28)17-11-13-5-4-8-19(20(13)24-17)31(29,30)15-6-2-1-3-7-15/h1-12,24H,(H,25,27)