methyl 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]octanoate

Systemtic Name: methyl 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]octanoate Openeye Name: methyl 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]octanoate CAS Name: 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-(1-imidazolyl)-1-oxopropyl]amino]octanoic acid methyl ester IUPAC Name: methyl 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]octanoate Traditional Name: 8-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]caprylic acid methyl ester Formula: C21H29ClN4O5S MolecularWeight: 484.99676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4O5S/c1-31-20(27)7-5-3-2-4-6-12-24-21(28)19(15-26-14-13-23-16-26)25-32(29,30)18-10-8-17(22)9-11-18/h8-11,13-14,16,19,25H,2-7,12,15H2,1H3,(H,24,28)