ethyl 4-[4-[4-(1,2,4-triazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[4-(1,2,4-triazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[4-(1,2,4-triazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo-[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(1,2,4-triazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[4-(1,2,4-triazol-1-yl)benzoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C22H23N5O5S/c1-2-32-22(29)18-5-9-20(10-6-18)33(30,31)26-13-11-25(12-14-26)21(28)17-3-7-19(8-4-17)27-16-23-15-24-27/h3-10,15-16H,2,11-14H2,1H3