(phenylmethyl) N-(2-methylbutyl)-N-[(1S)-3-oxidanylidene-2-phenethyl-1-sulfamoyl-4-(4-sulfamoylphenoxy)butyl]carbamate

Systemtic Name: (phenylmethyl) N-(2-methylbutyl)-N-[(1S)-3-oxidanylidene-2-phenethyl-1-sulfamoyl-4-(4-sulfamoylphenoxy)butyl]carbamate Openeye Name: benzyl N-(2-methylbutyl)-N-[(1S)-3-oxo-2-phenethyl-1-sulfamoyl-4-(4-sulfamoylphenoxy)butyl]carbamate CAS Name: N-(2-methylbutyl)-N-[(1S)-3-oxo-2-phenethyl-1-sulfamoyl-4-(4-sulfamoylphenoxy)butyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2-methylbutyl)-N-[(1S)-3-oxo-2-phenethyl-1-sulfamoyl-4-(4-sulfamoylphenoxy)butyl]carbamate Traditional Name: N-[(1S)-3-keto-2-phenethyl-1-sulfamoyl-4-(4-sulfamoylphenoxy)butyl]-N-(2-methylbutyl)carbamic acid benzyl ester Formula: C31H39N3O8S2 MolecularWeight: 645.78666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(C(C(CCC1=CC=CC=C1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C)CN([C@H](C(CCC1=CC=CC=C1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H39N3O8S2/c1-3-23(2)20-34(31(36)42-21-25-12-8-5-9-13-25)30(44(33,39)40)28(19-14-24-10-6-4-7-11-24)29(35)22-41-26-15-17-27(18-16-26)43(32,37)38/h4-13,15-18,23,28,30H,3,14,19-22H2,1-2H3,(H2,32,37,38)(H2,33,39,40)/t23?,28?,30-/m0/s1