octyl 5-[(4-ethylphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: octyl 5-[(4-ethylphenyl)sulfonylamino]-2-methyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: octyl 5-[(4-ethylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(4-ethylphenyl)sulfonylamino]-2-methyl-3-benzo[g]benzofurancarboxylic acid octyl ester IUPAC Name: octyl 5-[(4-ethylphenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-[(4-ethylphenyl)sulfonylamino]-2-methyl-benzo[g]benzofuran-3-carboxylic acid octyl ester Formula: C30H35NO5S MolecularWeight: 521.6676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)CC)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)CC)C

InChI

InChI=1S/C30H35NO5S/c1-4-6-7-8-9-12-19-35-30(32)28-21(3)36-29-25-14-11-10-13-24(25)27(20-26(28)29)31-37(33,34)23-17-15-22(5-2)16-18-23/h10-11,13-18,20,31H,4-9,12,19H2,1-3H3