tert-butyl 3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 3-[[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H35N3O7S MolecularWeight: 497.6049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C23H35N3O7S/c1-23(2,3)33-22(28)25-10-6-7-17(16-25)21(27)24-11-13-26(14-12-24)34(29,30)20-15-18(31-4)8-9-19(20)32-5/h8-9,15,17H,6-7,10-14,16H2,1-5H3