tert-butyl 4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(3S)-3-methylpiperidino]sulfonylbenzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O5S/c1-17-6-5-11-25(16-17)31(28,29)19-9-7-18(8-10-19)20(26)23-12-14-24(15-13-23)21(27)30-22(2,3)4/h7-10,17H,5-6,11-16H2,1-4H3/t17-/m0/s1