methyl 7-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]heptanoate

Systemtic Name: methyl 7-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]heptanoate Openeye Name: methyl 7-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]heptanoate CAS Name: 7-[[2-[(4-chlorophenyl)sulfonylamino]-3-(1-imidazolyl)-1-oxopropyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]heptanoate Traditional Name: 7-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]enanthic acid methyl ester Formula: C20H27ClN4O5S MolecularWeight: 470.97018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C(CN1C=CN=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C(CN1C=CN=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H27ClN4O5S/c1-30-19(26)6-4-2-3-5-11-23-20(27)18(14-25-13-12-22-15-25)24-31(28,29)17-9-7-16(21)8-10-17/h7-10,12-13,15,18,24H,2-6,11,14H2,1H3,(H,23,27)