methyl 4-[4-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbonyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[4-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbonyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-[4-methyl-2-(4-pyridyl)thiazole-5-carbonyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(4-methyl-2-pyridin-4-yl-5-thiazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[4-methyl-2-(4-pyridyl)thiazole-5-carbonyl]piperazino]sulfonylbenzoic acid methyl ester Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H22N4O5S2/c1-15-19(32-20(24-15)16-7-9-23-10-8-16)21(27)25-11-13-26(14-12-25)33(29,30)18-5-3-17(4-6-18)22(28)31-2/h3-10H,11-14H2,1-2H3