tert-butyl 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 3-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 3-(4-p-phenetylsulfonylpiperazine-1-carbonyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C23H35N3O6S MolecularWeight: 481.6055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H35N3O6S/c1-5-31-19-8-10-20(11-9-19)33(29,30)26-15-13-24(14-16-26)21(27)18-7-6-12-25(17-18)22(28)32-23(2,3)4/h8-11,18H,5-7,12-17H2,1-4H3