ethyl 4-[4-(3-imidazol-1-ylpropanoyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3-imidazol-1-ylpropanoyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3-imidazol-1-ylpropanoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[3-(1-imidazolyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-imidazol-1-ylpropanoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-imidazol-1-ylpropanoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=CN=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=CN=C3

InChI

InChI=1S/C19H24N4O5S/c1-2-28-19(25)16-3-5-17(6-4-16)29(26,27)23-13-11-22(12-14-23)18(24)7-9-21-10-8-20-15-21/h3-6,8,10,15H,2,7,9,11-14H2,1H3