ethyl 4-[[3-azanyl-3-(4-chlorophenyl)sulfonyl-2-(imidazol-1-ylmethyl)propanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[3-azanyl-3-(4-chlorophenyl)sulfonyl-2-(imidazol-1-ylmethyl)propanoyl]amino]benzoate Openeye Name: ethyl 4-[[3-amino-3-(4-chlorophenyl)sulfonyl-2-(imidazol-1-ylmethyl)propanoyl]amino]benzoate CAS Name: 4-[[3-amino-3-(4-chlorophenyl)sulfonyl-2-(1-imidazolylmethyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-amino-3-(4-chlorophenyl)sulfonyl-2-(imidazol-1-ylmethyl)propanoyl]amino]benzoate Traditional Name: 4-[[3-amino-3-(4-chlorophenyl)sulfonyl-2-(imidazol-1-ylmethyl)propanoyl]amino]benzoic acid ethyl ester Formula: C22H23ClN4O5S MolecularWeight: 490.95982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O5S/c1-2-32-22(29)15-3-7-17(8-4-15)26-21(28)19(13-27-12-11-25-14-27)20(24)33(30,31)18-9-5-16(23)6-10-18/h3-12,14,19-20H,2,13,24H2,1H3,(H,26,28)