4-[[5-(5-bromanyl-1-benzothiophen-3-yl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-(5-bromanyl-1-benzothiophen-3-yl)-1H-pyrazol-3-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-(5-bromobenzothiophen-3-yl)-1H-pyrazol-3-yl]amino]benzenesulfonamide CAS Name: 4-[[5-(5-bromo-1-benzothiophen-3-yl)-1H-pyrazol-3-yl]amino]benzenesulfonamide IUPAC Name: 4-[[5-(5-bromo-1-benzothiophen-3-yl)-1H-pyrazol-3-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-(5-bromobenzothiophen-3-yl)-1H-pyrazol-3-yl]amino]benzenesulfonamide Formula: C17H13BrN4O2S2 MolecularWeight: 449.34472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NNC(=C2)C3=CSC4=C3C=C(C=C4)Br)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1NC2=NNC(=C2)C3=CSC4=C3C=C(C=C4)Br)S(=O)(=O)N

InChI

InChI=1S/C17H13BrN4O2S2/c18-10-1-6-16-13(7-10)14(9-25-16)15-8-17(22-21-15)20-11-2-4-12(5-3-11)26(19,23)24/h1-9H,(H2,19,23,24)(H2,20,21,22)