ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]phenyl]acetate CAS Name: 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-(1-imidazolyl)-1-oxopropyl]amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]phenyl]acetate Traditional Name: 2-[4-[[2-(brosylamino)-3-imidazol-1-yl-propanoyl]amino]phenyl]acetic acid ethyl ester Formula: C22H23BrN4O5S MolecularWeight: 535.41082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)NC(=O)C(CN2C=CN=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)NC(=O)C(CN2C=CN=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN4O5S/c1-2-32-21(28)13-16-3-7-18(8-4-16)25-22(29)20(14-27-12-11-24-15-27)26-33(30,31)19-9-5-17(23)6-10-19/h3-12,15,20,26H,2,13-14H2,1H3,(H,25,29)