tert-butyl 4-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-ethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-ethoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-(1-p-phenetylsulfonylisonipecotoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C23H35N3O6S MolecularWeight: 481.6055

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H35N3O6S/c1-5-31-19-6-8-20(9-7-19)33(29,30)26-12-10-18(11-13-26)21(27)24-14-16-25(17-15-24)22(28)32-23(2,3)4/h6-9,18H,5,10-17H2,1-4H3