tert-butyl 4-[2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxidanylidene-1,3-dihydropyrazin-3-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxidanylidene-1,3-dihydropyrazin-3-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-[(3R)-2-oxo-4-(p-tolylsulfonyl)-1,3-dihydropyrazin-3-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(3R)-2-keto-4-tosyl-1,3-dihydropyrazin-3-yl]acetyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H32N4O6S MolecularWeight: 492.58838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CNC(=O)C2CC(=O)NC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)NC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H32N4O6S/c1-16-5-7-18(8-6-16)34(31,32)27-14-11-24-21(29)19(27)15-20(28)25-17-9-12-26(13-10-17)22(30)33-23(2,3)4/h5-8,11,14,17,19H,9-10,12-13,15H2,1-4H3,(H,24,29)(H,25,28)/t19-/m1/s1