4-[[5-(7-bromanyl-1-benzothiophen-3-yl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-(7-bromanyl-1-benzothiophen-3-yl)-1H-pyrazol-3-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-(7-bromobenzothiophen-3-yl)-1H-pyrazol-3-yl]amino]benzenesulfonamide CAS Name: 4-[[5-(7-bromo-1-benzothiophen-3-yl)-1H-pyrazol-3-yl]amino]benzenesulfonamide IUPAC Name: 4-[[5-(7-bromo-1-benzothiophen-3-yl)-1H-pyrazol-3-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-(7-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=CC2=C(C(=C1)Br)SC=C2C3=CC(=NN3)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC2=C(C(=C1)Br)SC=C2C3=CC(=NN3)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

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