2-[[4-(4-carbamimidoylphenoxy)carbonylphenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-(4-carbamimidoylphenoxy)carbonylphenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-(4-carbamimidoylphenoxy)carbonylphenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[4-[(4-carbamimidoylphenoxy)-oxomethyl]phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-(4-carbamimidoylphenoxy)carbonylphenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-(4-amidinophenoxy)carbonylphenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H21N3O6S/c24-21(25)16-6-10-18(11-7-16)32-23(29)17-8-12-19(13-9-17)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)