[5-ethyl-2-[2-(phenylsulfonylamino)ethoxy]phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate

Systemtic Name: [5-ethyl-2-[2-(phenylsulfonylamino)ethoxy]phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate Openeye Name: [2-[2-(benzenesulfonamido)ethoxy]-5-ethyl-phenyl] 2-(4-carbamimidoylanilino)acetate CAS Name: 2-(4-carbamimidoylanilino)acetic acid [2-[2-(benzenesulfonamido)ethoxy]-5-ethylphenyl] ester IUPAC Name: [2-[2-(benzenesulfonamido)ethoxy]-5-ethylphenyl] 2-(4-carbamimidoylanilino)acetate Traditional Name: 2-(4-amidinoanilino)acetic acid [2-[2-(benzenesulfonamido)ethoxy]-5-ethyl-phenyl] ester Formula: C25H28N4O5S MolecularWeight: 496.57862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCNS(=O)(=O)C2=CC=CC=C2)OC(=O)CNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCNS(=O)(=O)C2=CC=CC=C2)OC(=O)CNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H28N4O5S/c1-2-18-8-13-22(33-15-14-29-35(31,32)21-6-4-3-5-7-21)23(16-18)34-24(30)17-28-20-11-9-19(10-12-20)25(26)27/h3-13,16,28-29H,2,14-15,17H2,1H3,(H3,26,27)