(4-cyanophenyl)methyl 4-chloranyl-3-[(4-cyanophenyl)methyl-(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate

Systemtic Name: (4-cyanophenyl)methyl 4-chloranyl-3-[(4-cyanophenyl)methyl-(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate Openeye Name: (4-cyanophenyl)methyl 4-chloro-3-[(4-cyanophenyl)methyl-(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoate CAS Name: 4-chloro-3-[(4-cyanophenyl)methyl-(2-methoxy-5-nitrophenyl)sulfamoyl]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-chloro-3-[(4-cyanophenyl)methyl-(2-methoxy-5-nitrophenyl)sulfamoyl]benzoate Traditional Name: 4-chloro-3-[(4-cyanobenzyl)-(2-methoxy-5-nitro-phenyl)sulfamoyl]benzoic acid (4-cyanobenzyl) ester Formula: C30H21ClN4O7S MolecularWeight: 617.02834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C30H21ClN4O7S/c1-41-28-13-11-25(35(37)38)15-27(28)34(18-22-6-2-20(16-32)3-7-22)43(39,40)29-14-24(10-12-26(29)31)30(36)42-19-23-8-4-21(17-33)5-9-23/h2-15H,18-19H2,1H3