heptyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: heptyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: heptyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonylamino]-2-methyl-3-benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 5-[(4-bromophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-(brosylamino)-2-methyl-benzofuran-3-carboxylic acid heptyl ester Formula: C23H26BrNO5S MolecularWeight: 508.42524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C23H26BrNO5S/c1-3-4-5-6-7-14-29-23(26)22-16(2)30-21-13-10-18(15-20(21)22)25-31(27,28)19-11-8-17(24)9-12-19/h8-13,15,25H,3-7,14H2,1-2H3