3-[2-(aminocarbonylamino)-1-phenyl-ethyl]-2-(aminomethyl)-4-oxidanyl-5-phenyl-benzenesulfonic acid

Systemtic Name: 3-[2-(aminocarbonylamino)-1-phenyl-ethyl]-2-(aminomethyl)-4-oxidanyl-5-phenyl-benzenesulfonic acid Openeye Name: 2-(aminomethyl)-4-hydroxy-5-phenyl-3-(1-phenyl-2-ureido-ethyl)benzenesulfonic acid CAS Name: 2-(aminomethyl)-3-[2-(carbamoylamino)-1-phenylethyl]-4-hydroxy-5-phenylbenzenesulfonic acid IUPAC Name: 2-(aminomethyl)-3-[2-(carbamoylamino)-1-phenylethyl]-4-hydroxy-5-phenylbenzenesulfonic acid Traditional Name: 2-(aminomethyl)-4-hydroxy-5-phenyl-3-(1-phenyl-2-ureido-ethyl)besylic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C(=C2O)C(CNC(=O)N)C3=CC=CC=C3)CN)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C(=C2O)C(CNC(=O)N)C3=CC=CC=C3)CN)S(=O)(=O)O

InChI

InChI=1S/C22H23N3O5S/c23-12-17-19(31(28,29)30)11-16(14-7-3-1-4-8-14)21(26)20(17)18(13-25-22(24)27)15-9-5-2-6-10-15/h1-11,18,26H,12-13,23H2,(H3,24,25,27)(H,28,29,30)