ethyl 4-[4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(4-thiazol-2-ylpiperazine-1-carbonyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[oxo-[4-(2-thiazolyl)-1-piperazinyl]methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(4-thiazol-2-ylpiperazine-1-carbonyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C22H28N4O5S2 MolecularWeight: 492.61152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC=CS4

InChI

InChI=1S/C22H28N4O5S2/c1-2-31-21(28)18-3-5-19(6-4-18)33(29,30)26-10-7-17(8-11-26)20(27)24-12-14-25(15-13-24)22-23-9-16-32-22/h3-6,9,16-17H,2,7-8,10-15H2,1H3