3-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]benzoic acid CAS Name: 3-[[2-[(4-chlorophenyl)sulfonylamino]-3-(1-imidazolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]benzoic acid Traditional Name: 3-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]benzoic acid Formula: C19H17ClN4O5S MolecularWeight: 448.88008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(CN2C=CN=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(CN2C=CN=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H17ClN4O5S/c20-14-4-6-16(7-5-14)30(28,29)23-17(11-24-9-8-21-12-24)18(25)22-15-3-1-2-13(10-15)19(26)27/h1-10,12,17,23H,11H2,(H,22,25)(H,26,27)