2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-(methylsulfonylamino)phenyl]benzoic acid

Systemtic Name: 2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-(methylsulfonylamino)phenyl]benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-2-naphthyl)oxy]-5-(methanesulfonamido)phenyl]benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-2-naphthalenyl)oxy]-5-(methanesulfonamido)phenyl]benzoic acid IUPAC Name: 2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-(methanesulfonamido)phenyl]benzoic acid Traditional Name: 2-[2-(6-amidino-2-naphthoxy)-5-(methanesulfonamido)phenyl]benzoic acid Formula: C25H21N3O5S MolecularWeight: 475.51634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=C(C=C1)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC(=C(C=C1)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H21N3O5S/c1-34(31,32)28-18-9-11-23(22(14-18)20-4-2-3-5-21(20)25(29)30)33-19-10-8-15-12-17(24(26)27)7-6-16(15)13-19/h2-14,28H,1H3,(H3,26,27)(H,29,30)