ethyl 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]benzoate CAS Name: 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-(1-imidazolyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-ylpropanoyl]amino]benzoate Traditional Name: 4-[[2-[(4-chlorophenyl)sulfonylamino]-3-imidazol-1-yl-propanoyl]amino]benzoic acid ethyl ester Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O5S/c1-2-31-21(28)15-3-7-17(8-4-15)24-20(27)19(13-26-12-11-23-14-26)25-32(29,30)18-9-5-16(22)6-10-18/h3-12,14,19,25H,2,13H2,1H3,(H,24,27)