octyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: octyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: octyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid octyl ester IUPAC Name: octyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylic acid octyl ester Formula: C28H30N2O7S MolecularWeight: 538.612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C28H30N2O7S/c1-3-4-5-6-7-10-16-36-28(31)26-19(2)37-27-23-15-9-8-14-22(23)25(18-24(26)27)29-38(34,35)21-13-11-12-20(17-21)30(32)33/h8-9,11-15,17-18,29H,3-7,10,16H2,1-2H3