(4-carbamimidoylphenyl) 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3-phenyl-propan-2-yl]sulfamoyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3-phenyl-propan-2-yl]sulfamoyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(1-benzyl-2-tert-butoxy-2-oxo-ethyl)sulfamoyl]benzoate CAS Name: 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]sulfamoyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]sulfamoyl]benzoate Traditional Name: 4-[(1-benzyl-2-tert-butoxy-2-keto-ethyl)sulfamoyl]benzoic acid (4-amidinophenyl) ester Formula: C27H29N3O6S MolecularWeight: 523.60066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H29N3O6S/c1-27(2,3)36-26(32)23(17-18-7-5-4-6-8-18)30-37(33,34)22-15-11-20(12-16-22)25(31)35-21-13-9-19(10-14-21)24(28)29/h4-16,23,30H,17H2,1-3H3,(H3,28,29)