tert-butyl 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C23H35N3O5S/c1-17-6-7-20(16-18(17)2)32(29,30)26-10-8-19(9-11-26)21(27)24-12-14-25(15-13-24)22(28)31-23(3,4)5/h6-7,16,19H,8-15H2,1-5H3