tert-butyl 4-[(2S)-2-(phenylsulfonylamino)-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-2-(phenylsulfonylamino)-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-(benzenesulfonamido)-3-[4-(8-quinolylsulfonyloxy)phenyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-(benzenesulfonamido)-1-oxo-3-[4-(8-quinolinylsulfonyloxy)phenyl]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-2-(benzenesulfonamido)-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(benzenesulfonamido)-3-[4-(8-quinolylsulfonyloxy)phenyl]propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C33H36N4O8S2 MolecularWeight: 680.79094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3N=CC=C4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3N=CC=C4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H36N4O8S2/c1-33(2,3)44-32(39)37-21-19-36(20-22-37)31(38)28(35-46(40,41)27-11-5-4-6-12-27)23-24-14-16-26(17-15-24)45-47(42,43)29-13-7-9-25-10-8-18-34-30(25)29/h4-18,28,35H,19-23H2,1-3H3/t28-/m0/s1