ethyl 4-(4-phenylmethoxyphenoxy)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate

Systemtic Name: ethyl 4-(4-phenylmethoxyphenoxy)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate Openeye Name: ethyl 3-(benzylamino)-4-(4-benzyloxyphenoxy)-5-sulfamoyl-benzoate CAS Name: 4-(4-phenylmethoxyphenoxy)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-4-(4-phenylmethoxyphenoxy)-5-sulfamoylbenzoate Traditional Name: 4-(4-benzoxyphenoxy)-3-(benzylamino)-5-sulfamoyl-benzoic acid ethyl ester Formula: C29H28N2O6S MolecularWeight: 532.60742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)OC2=CC=C(C=C2)OCC3=CC=CC=C3)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)OC2=CC=C(C=C2)OCC3=CC=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C29H28N2O6S/c1-2-35-29(32)23-17-26(31-19-21-9-5-3-6-10-21)28(27(18-23)38(30,33)34)37-25-15-13-24(14-16-25)36-20-22-11-7-4-8-12-22/h3-18,31H,2,19-20H2,1H3,(H2,30,33,34)