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

Systemtic Name: heptyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: heptyl 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid heptyl ester IUPAC Name: heptyl 5-[(4-methoxy-3-nitrophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-[(4-methoxy-3-nitro-phenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid heptyl ester Formula: C28H30N2O8S MolecularWeight: 554.6114

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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)OC)[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)OC)[N+](=O)[O-])C

InChI

InChI=1S/C28H30N2O8S/c1-4-5-6-7-10-15-37-28(31)26-18(2)38-27-21-12-9-8-11-20(21)23(17-22(26)27)29-39(34,35)19-13-14-25(36-3)24(16-19)30(32)33/h8-9,11-14,16-17,29H,4-7,10,15H2,1-3H3