N-[3-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]quinoxalin-2-yl]-5-bromanyl-thiophene-2-sulfonamide

Systemtic Name: N-[3-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]quinoxalin-2-yl]-5-bromanyl-thiophene-2-sulfonamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-yl)anilino]quinoxalin-2-yl]-5-bromo-thiophene-2-sulfonamide CAS Name: N-[3-[4-(1,3-benzothiazol-2-yl)anilino]-2-quinoxalinyl]-5-bromo-2-thiophenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-yl)anilino]quinoxalin-2-yl]-5-bromothiophene-2-sulfonamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-yl)anilino]quinoxalin-2-yl]-5-bromo-thiophene-2-sulfonamide Formula: C25H16BrN5O2S3 MolecularWeight: 594.52584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(S3)Br)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(S3)Br)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C25H16BrN5O2S3/c26-21-13-14-22(35-21)36(32,33)31-24-23(28-17-5-1-2-6-18(17)29-24)27-16-11-9-15(10-12-16)25-30-19-7-3-4-8-20(19)34-25/h1-14H,(H,27,28)(H,29,31)