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

Systemtic Name: 4-[4-(3-imidazol-1-ylpropanoyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: 4-[4-(3-imidazol-1-ylpropanoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[3-(1-imidazolyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]benzoate IUPAC Name: 4-[4-(3-imidazol-1-ylpropanoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-imidazol-1-ylpropanoyl)piperazino]sulfonylbenzoate Formula: C17H19N4O5S- MolecularWeight: 391.42156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C=CN=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C=CN=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c22-16(5-7-19-8-6-18-13-19)20-9-11-21(12-10-20)27(25,26)15-3-1-14(2-4-15)17(23)24/h1-4,6,8,13H,5,7,9-12H2,(H,23,24)/p-1