methyl 3-[(4-cyclooctyloxyphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-cyclooctyloxyphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(cyclooctoxy)phenyl]methyl-(3-pyridylmethyl)sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[(4-cyclooctyloxyphenyl)methyl-(3-pyridinylmethyl)sulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-cyclooctyloxyphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[[4-(cyclooctoxy)benzyl]-(3-pyridylmethyl)sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C27H32N2O5S2 MolecularWeight: 528.68338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N(CC2=CC=C(C=C2)OC3CCCCCCC3)CC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N(CC2=CC=C(C=C2)OC3CCCCCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C27H32N2O5S2/c1-33-27(30)26-25(15-17-35-26)36(31,32)29(20-22-8-7-16-28-18-22)19-21-11-13-24(14-12-21)34-23-9-5-3-2-4-6-10-23/h7-8,11-18,23H,2-6,9-10,19-20H2,1H3