methyl 2-[4-[(4-imidazol-1-ylphenyl)methyl]-3-oxidanylidene-piperazin-1-yl]sulfonylethanoate

Systemtic Name: methyl 2-[4-[(4-imidazol-1-ylphenyl)methyl]-3-oxidanylidene-piperazin-1-yl]sulfonylethanoate Openeye Name: methyl 2-[4-[(4-imidazol-1-ylphenyl)methyl]-3-oxo-piperazin-1-yl]sulfonylacetate CAS Name: 2-[[4-[[4-(1-imidazolyl)phenyl]methyl]-3-oxo-1-piperazinyl]sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-imidazol-1-ylphenyl)methyl]-3-oxopiperazin-1-yl]sulfonylacetate Traditional Name: 2-[4-(4-imidazol-1-ylbenzyl)-3-keto-piperazino]sulfonylacetic acid methyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)(=O)N1CCN(C(=O)C1)CC2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

COC(=O)CS(=O)(=O)N1CCN(C(=O)C1)CC2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C17H20N4O5S/c1-26-17(23)12-27(24,25)21-9-8-19(16(22)11-21)10-14-2-4-15(5-3-14)20-7-6-18-13-20/h2-7,13H,8-12H2,1H3