2-(methanoylsulfamoylmethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid

Systemtic Name: 2-(methanoylsulfamoylmethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2-(formylsulfamoylmethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-(formylsulfamoylmethyl)-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-(formylsulfamoylmethyl)-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-(formylsulfamoylmethyl)-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C41H45N3O9S MolecularWeight: 755.8757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O)CS(=O)(=O)NC=O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)N(CCC)CC4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O)CS(=O)(=O)NC=O

InChI

InChI=1S/C41H45N3O9S/c1-3-23-43(25-29-15-19-33(20-16-29)52-31-11-7-5-8-12-31)39(46)36-35(27-54(50,51)42-28-45)37(41(48)49)38(36)40(47)44(24-4-2)26-30-17-21-34(22-18-30)53-32-13-9-6-10-14-32/h5-22,28,35-38H,3-4,23-27H2,1-2H3,(H,42,45)(H,48,49)