2-(6-azanylpyridin-2-yl)ethyl 2-[[(4-iodophenyl)sulfonylamino]-(phenylcarbonyl)amino]propanoate

Systemtic Name: 2-(6-azanylpyridin-2-yl)ethyl 2-[[(4-iodophenyl)sulfonylamino]-(phenylcarbonyl)amino]propanoate Openeye Name: 2-(6-amino-2-pyridyl)ethyl 2-[benzoyl-[(4-iodophenyl)sulfonylamino]amino]propanoate CAS Name: 2-[benzoyl-[(4-iodophenyl)sulfonylamino]amino]propanoic acid 2-(6-amino-2-pyridinyl)ethyl ester IUPAC Name: 2-(6-aminopyridin-2-yl)ethyl 2-[benzoyl-[(4-iodophenyl)sulfonylamino]amino]propanoate Traditional Name: 2-[benzoyl-[(4-iodophenyl)sulfonylamino]amino]propionic acid 2-(6-amino-2-pyridyl)ethyl ester Formula: C23H23IN4O5S MolecularWeight: 594.42199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCC1=NC(=CC=C1)N)N(C(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC(C(=O)OCCC1=NC(=CC=C1)N)N(C(=O)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C23H23IN4O5S/c1-16(23(30)33-15-14-19-8-5-9-21(25)26-19)28(22(29)17-6-3-2-4-7-17)27-34(31,32)20-12-10-18(24)11-13-20/h2-13,16,27H,14-15H2,1H3,(H2,25,26)