methyl 6-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbonylpyridine-2-carboxylate

Systemtic Name: methyl 6-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbonylpyridine-2-carboxylate Openeye Name: methyl 6-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxylate CAS Name: 6-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]pyridine-2-carboxylate Traditional Name: 6-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]picolinic acid methyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC(=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NC(=CC=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O5S/c1-22(2,3)16-8-10-17(11-9-16)31(28,29)25-14-12-24(13-15-25)20(26)18-6-5-7-19(23-18)21(27)30-4/h5-11H,12-15H2,1-4H3