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

Systemtic Name: tert-butyl 4-[(2S)-2-benzamido-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-benzamido-3-[4-(8-quinolylsulfonyloxy)phenyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-benzamido-1-oxo-3-[4-(8-quinolinylsulfonyloxy)phenyl]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-2-benzamido-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-benzamido-3-[4-(8-quinolylsulfonyloxy)phenyl]propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C34H36N4O7S MolecularWeight: 644.73724

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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)NC(=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)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H36N4O7S/c1-34(2,3)44-33(41)38-21-19-37(20-22-38)32(40)28(36-31(39)26-9-5-4-6-10-26)23-24-14-16-27(17-15-24)45-46(42,43)29-13-7-11-25-12-8-18-35-30(25)29/h4-18,28H,19-23H2,1-3H3,(H,36,39)/t28-/m0/s1