4-[(4-bromophenyl)sulfonylamino]but-2-ynyl benzoate

Systemtic Name: 4-[(4-bromophenyl)sulfonylamino]but-2-ynyl benzoate Openeye Name: 4-[(4-bromophenyl)sulfonylamino]but-2-ynyl benzoate CAS Name: benzoic acid 4-[(4-bromophenyl)sulfonylamino]but-2-ynyl ester IUPAC Name: 4-[(4-bromophenyl)sulfonylamino]but-2-ynyl benzoate Traditional Name: benzoic acid 4-(brosylamino)but-2-ynyl ester Formula: C17H14BrNO4S MolecularWeight: 408.26636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC#CCNS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC#CCNS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H14BrNO4S/c18-15-8-10-16(11-9-15)24(21,22)19-12-4-5-13-23-17(20)14-6-2-1-3-7-14/h1-3,6-11,19H,12-13H2