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

Systemtic Name: tert-butyl (3R)-3-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl (3R)-3-[4-(4-cyanophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: (3R)-3-[[4-(4-cyanophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[4-(4-cyanophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: (3R)-3-[4-(4-cyanophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O5S MolecularWeight: 462.5624

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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=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H30N4O5S/c1-22(2,3)31-21(28)25-10-4-5-18(16-25)20(27)24-11-13-26(14-12-24)32(29,30)19-8-6-17(15-23)7-9-19/h6-9,18H,4-5,10-14,16H2,1-3H3/t18-/m1/s1