[3-azanyl-3-(phenylsulfonylamino)propanoyl] 4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethoxy]benzoate

Systemtic Name: [3-azanyl-3-(phenylsulfonylamino)propanoyl] 4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethoxy]benzoate Openeye Name: [3-amino-3-(benzenesulfonamido)propanoyl] 4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethoxy]benzoate CAS Name: 4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethoxy]benzoic acid [3-amino-3-(benzenesulfonamido)-1-oxopropyl] ester IUPAC Name: [3-amino-3-(benzenesulfonamido)propanoyl] 4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethoxy]benzoate Traditional Name: 4-[2-(2-imidazolin-2-ylamino)ethoxy]benzoic acid [3-amino-3-(benzenesulfonamido)propanoyl] ester Formula: C21H25N5O6S MolecularWeight: 475.5181

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NCCOC2=CC=C(C=C2)C(=O)OC(=O)CC(N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN=C(N1)NCCOC2=CC=C(C=C2)C(=O)OC(=O)CC(N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5O6S/c22-18(26-33(29,30)17-4-2-1-3-5-17)14-19(27)32-20(28)15-6-8-16(9-7-15)31-13-12-25-21-23-10-11-24-21/h1-9,18,26H,10-14,22H2,(H2,23,24,25)