octyl 2-methyl-5-(naphthalen-1-ylsulfonylamino)-1-benzofuran-3-carboxylate

Systemtic Name: octyl 2-methyl-5-(naphthalen-1-ylsulfonylamino)-1-benzofuran-3-carboxylate Openeye Name: octyl 2-methyl-5-(1-naphthylsulfonylamino)benzofuran-3-carboxylate CAS Name: 2-methyl-5-(1-naphthalenylsulfonylamino)-3-benzofurancarboxylic acid octyl ester IUPAC Name: octyl 2-methyl-5-(naphthalen-1-ylsulfonylamino)-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-(1-naphthylsulfonylamino)benzofuran-3-carboxylic acid octyl ester Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C28H31NO5S/c1-3-4-5-6-7-10-18-33-28(30)27-20(2)34-25-17-16-22(19-24(25)27)29-35(31,32)26-15-11-13-21-12-8-9-14-23(21)26/h8-9,11-17,19,29H,3-7,10,18H2,1-2H3