tert-butyl (3R)-3-(prop-2-enylcarbamoyl)-4-quinolin-8-ylsulfonyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl (3R)-3-(prop-2-enylcarbamoyl)-4-quinolin-8-ylsulfonyl-piperazine-1-carboxylate Openeye Name: tert-butyl (3R)-3-(allylcarbamoyl)-4-(8-quinolylsulfonyl)piperazine-1-carboxylate CAS Name: (3R)-3-[oxo-(prop-2-enylamino)methyl]-4-(8-quinolinylsulfonyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-(prop-2-enylcarbamoyl)-4-quinolin-8-ylsulfonylpiperazine-1-carboxylate Traditional Name: (3R)-3-(allylcarbamoyl)-4-(8-quinolylsulfonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NCC=C)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN([C@H](C1)C(=O)NCC=C)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C22H28N4O5S/c1-5-11-24-20(27)17-15-25(21(28)31-22(2,3)4)13-14-26(17)32(29,30)18-10-6-8-16-9-7-12-23-19(16)18/h5-10,12,17H,1,11,13-15H2,2-4H3,(H,24,27)/t17-/m1/s1