6-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]hexanoic acid

Systemtic Name: 6-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]hexanoic acid Openeye Name: 6-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]hexanoic acid CAS Name: 6-[[2-[(4-chlorophenyl)sulfonylamino]-3-(1-imidazolyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]hexanoic acid Traditional Name: 6-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]hexanoic acid Formula: C18H23ClN4O5S MolecularWeight: 442.91702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)NC(CN2C=CN=C2)C(=O)NCCCCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)NC(CN2C=CN=C2)C(=O)NCCCCCC(=O)O)Cl

InChI

InChI=1S/C18H23ClN4O5S/c19-14-5-7-15(8-6-14)29(27,28)22-16(12-23-11-10-20-13-23)18(26)21-9-3-1-2-4-17(24)25/h5-8,10-11,13,16,22H,1-4,9,12H2,(H,21,26)(H,24,25)