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

Systemtic Name: methyl 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]butanoate Openeye Name: methyl 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]butanoate CAS Name: 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-(1-imidazolyl)-1-oxopropyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]butanoate Traditional Name: 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]butyric acid methyl ester Formula: C17H21ClN4O5S MolecularWeight: 428.89044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN4O5S/c1-27-16(23)3-2-8-20-17(24)15(11-22-10-9-19-12-22)21-28(25,26)14-6-4-13(18)5-7-14/h4-7,9-10,12,15,21H,2-3,8,11H2,1H3,(H,20,24)