2-[[4-(4-carbamimidoylphenyl)carbonyloxyphenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-(4-carbamimidoylphenyl)carbonyloxyphenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-(4-carbamimidoylbenzoyl)oxyphenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[4-[(4-carbamimidoylphenyl)-oxomethoxy]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-(4-carbamimidoylbenzoyl)oxyphenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-(4-amidinobenzoyl)oxyphenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C23H21N3O6S MolecularWeight: 467.49434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O6S/c24-21(25)16-6-8-17(9-7-16)23(29)32-18-10-12-19(13-11-18)33(30,31)26-20(22(27)28)14-15-4-2-1-3-5-15/h1-13,20,26H,14H2,(H3,24,25)(H,27,28)