heptyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: heptyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Openeye Name: heptyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-3-benzo[g]benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzo[g]benzofuran-3-carboxylic acid heptyl ester Formula: C28H30N2O7S MolecularWeight: 538.612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])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)20-14-13-18(2)25(16-20)30(32)33/h8-9,11-14,16-17,29H,4-7,10,15H2,1-3H3