3-cyanopropyl 2-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: 3-cyanopropyl 2-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: 3-cyanopropyl 2-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 2-[(5-bromo-2-thiophenyl)sulfonylamino]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 2-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid 3-cyanopropyl ester Formula: C15H13BrN2O4S2 MolecularWeight: 429.30872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCCCC#N)NS(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCCCC#N)NS(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C15H13BrN2O4S2/c16-13-7-8-14(23-13)24(20,21)18-12-6-2-1-5-11(12)15(19)22-10-4-3-9-17/h1-2,5-8,18H,3-4,10H2