5-[(5-bromanylthiophen-2-yl)sulfonylamino]-2-(4-ethylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(5-bromanylthiophen-2-yl)sulfonylamino]-2-(4-ethylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(5-bromo-2-thienyl)sulfonylamino]-2-(4-ethylpiperazin-1-yl)benzoic acid CAS Name: 5-[(5-bromo-2-thiophenyl)sulfonylamino]-2-(4-ethyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(5-bromothiophen-2-yl)sulfonylamino]-2-(4-ethylpiperazin-1-yl)benzoic acid Traditional Name: 5-[(5-bromo-2-thienyl)sulfonylamino]-2-(4-ethylpiperazino)benzoic acid Formula: C17H20BrN3O4S2 MolecularWeight: 474.3924

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br)C(=O)O

InChI

InChI=1S/C17H20BrN3O4S2/c1-2-20-7-9-21(10-8-20)14-4-3-12(11-13(14)17(22)23)19-27(24,25)16-6-5-15(18)26-16/h3-6,11,19H,2,7-10H2,1H3,(H,22,23)