heptyl 2-methyl-5-[(2-methyl-5-nitro-phenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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