2-[[2-(4-carbamimidoylphenyl)carbonyloxyphenyl]sulfonyl-phenyl-amino]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C(=O)O)N(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H21N3O6S/c1-15(22(27)28)26(18-7-3-2-4-8-18)33(30,31)20-10-6-5-9-19(20)32-23(29)17-13-11-16(12-14-17)21(24)25/h2-15H,1H3,(H3,24,25)(H,27,28)